CAS 17403-09-7 | 1H-Indole, 3-(4-piperidinyl)- | CAS Number 17403-09-7

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17403-09-7 | 1H-Indole, 3-(4-piperidinyl)-

CAS No: 17403-09-7 Catalog No: AG001ZEM MDL No:MFCD01764670

Product Description

Catalog Number:

AG001ZEM

Chemical Name:

1H-Indole, 3-(4-piperidinyl)-

CAS Number:

17403-09-7

Molecular Formula:

C13H16N2

Molecular Weight:

200.2795

MDL Number:

MFCD01764670

IUPAC Name:

3-piperidin-4-yl-1H-indole

InChI:

InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2

InChI Key:

KAIRZPVWWIMPFT-UHFFFAOYSA-N

SMILES:

N1CCC(CC1)c1c[nH]c2c1cccc2

EC Number:

241-425-3

Properties

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.285g/mol

Monoisotopic Mass:

200.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.	ACS medicinal chemistry letters 20131010
Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity: part 2.	European journal of medicinal chemistry 20091101
Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity, part 1.	European journal of medicinal chemistry 20090401