1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine

C18H23N3 — CID 61210102

IUPAC1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NC(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H23N3/c1-21-13-5-8-17(14-21)20-18(15-6-3-2-4-7-15)16-9-11-19-12-10-16/h2-4,6-7,9-12,17-18,20H,5,8,13-14H2,1H3
InChIKeyYFXDXUUODQCDPN-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds4

About 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine

1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine (PubChem CID 61210102) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
PubChem CID61210102
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NC(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H23N3/c1-21-13-5-8-17(14-21)20-18(15-6-3-2-4-7-15)16-9-11-19-12-10-16/h2-4,6-7,9-12,17-18,20H,5,8,13-14H2,1H3
InChIKeyYFXDXUUODQCDPN-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97230742
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97187975
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine (CID 61210102) is 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine is CN1CCCC(NC(c2ccccc2)c2ccncc2)C1.
What is the InChIKey of 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine?
The InChIKey is YFXDXUUODQCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-21-13-5-8-17(14-21)20-18(15-6-3-2-4-7-15)16-9-11-19-12-10-16/h2-4,6-7,9-12,17-18,20H,5,8,13-14H2,1H3.
What are the key properties of 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine?
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 61210102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).