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811812-60-9 | Pyrimidine, 2-(4-piperidinylmethyl)-
CAS No: 811812-60-9 Catalog No: AG004ZHJ MDL No:
Product Description
Catalog Number:
AG004ZHJ
Chemical Name:
Pyrimidine, 2-(4-piperidinylmethyl)-
CAS Number:
811812-60-9
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
IUPAC Name:
2-(piperidin-4-ylmethyl)pyrimidine
InChI:
InChI=1S/C10H15N3/c1-4-12-10(13-5-1)8-9-2-6-11-7-3-9/h1,4-5,9,11H,2-3,6-8H2
InChI Key:
HMJKACKDXHDGSM-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cc1ncccn1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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