1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine

C21H29N3 — CID 50979377

IUPAC1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
SMILESCCC(NC1CCN(Cc2ccccc2)CC1)c1ncccc1C
InChIInChI=1S/C21H29N3/c1-3-20(21-17(2)8-7-13-22-21)23-19-11-14-24(15-12-19)16-18-9-5-4-6-10-18/h4-10,13,19-20,23H,3,11-12,14-16H2,1-2H3
InChIKeyIUGVTXHBMKEBOY-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.10
Rot. Bonds6

About 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine

1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine (PubChem CID 50979377) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
PubChem CID50979377
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
SMILESCCC(NC1CCN(Cc2ccccc2)CC1)c1ncccc1C
InChIInChI=1S/C21H29N3/c1-3-20(21-17(2)8-7-13-22-21)23-19-11-14-24(15-12-19)16-18-9-5-4-6-10-18/h4-10,13,19-20,23H,3,11-12,14-16H2,1-2H3
InChIKeyIUGVTXHBMKEBOY-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(3-nitrophenyl)propyl]piperidin-4-amine
CID 119165383
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-N-(1-benzylpiperidin-4-yl)-3-N-(1-ethoxycyclopropyl)-2-N-methylpyridine-2,3-diamine
CID 10643521

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine (CID 50979377) is 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine is CCC(NC1CCN(Cc2ccccc2)CC1)c1ncccc1C.
What is the InChIKey of 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine?
The InChIKey is IUGVTXHBMKEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-3-20(21-17(2)8-7-13-22-21)23-19-11-14-24(15-12-19)16-18-9-5-4-6-10-18/h4-10,13,19-20,23H,3,11-12,14-16H2,1-2H3.
What are the key properties of 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine?
1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine has a molecular weight of 323.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine is sourced from PubChem (CID 50979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).