1-benzyl-3-pyridin-2-ylpiperidin-3-amine

C17H21N3 — CID 83693801

IUPAC1-benzyl-3-pyridin-2-ylpiperidin-3-amine
SMILESNC1(c2ccccn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-17(16-9-4-5-11-19-16)10-6-12-20(14-17)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14,18H2
InChIKeyGDAUFVROYQRICX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.53
Rot. Bonds3

About 1-benzyl-3-pyridin-2-ylpiperidin-3-amine

1-benzyl-3-pyridin-2-ylpiperidin-3-amine (PubChem CID 83693801) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-benzyl-3-pyridin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-pyridin-2-ylpiperidin-3-amine
PubChem CID83693801
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-benzyl-3-pyridin-2-ylpiperidin-3-amine
SMILESNC1(c2ccccn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-17(16-9-4-5-11-19-16)10-6-12-20(14-17)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14,18H2
InChIKeyGDAUFVROYQRICX-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
1-benzyl-3-(furan-2-yl)piperidin-3-amine
CID 83693426
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
ethyl 4-(3-amino-1-benzylpiperidin-3-yl)benzoate
CID 130407925

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-pyridin-2-ylpiperidin-3-amine?
The IUPAC name of 1-benzyl-3-pyridin-2-ylpiperidin-3-amine (CID 83693801) is 1-benzyl-3-pyridin-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-benzyl-3-pyridin-2-ylpiperidin-3-amine?
The canonical SMILES for 1-benzyl-3-pyridin-2-ylpiperidin-3-amine is NC1(c2ccccn2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-pyridin-2-ylpiperidin-3-amine?
The InChIKey is GDAUFVROYQRICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-17(16-9-4-5-11-19-16)10-6-12-20(14-17)13-15-7-2-1-3-8-15/h1-5,7-9,11H,6,10,12-14,18H2.
What are the key properties of 1-benzyl-3-pyridin-2-ylpiperidin-3-amine?
1-benzyl-3-pyridin-2-ylpiperidin-3-amine has a molecular weight of 267.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-pyridin-2-ylpiperidin-3-amine is sourced from PubChem (CID 83693801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).