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87451-41-0 | Piperidine, 1-methyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-
CAS No: 87451-41-0 Catalog No: AG004FU4 MDL No:
Product Description
Catalog Number:
AG004FU4
Chemical Name:
Piperidine, 1-methyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-
CAS Number:
87451-41-0
Molecular Formula:
C12H20N2
Molecular Weight:
192.3006
IUPAC Name:
1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
InChI:
InChI=1S/C12H20N2/c1-13-8-5-11(6-9-13)10-12-4-3-7-14(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChI Key:
PDABQLIQJAZYEY-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Cc1cccn1C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.163g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.306g/mol
Monoisotopic Mass:
192.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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