N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine

C19H32N2 — CID 63455775

IUPACN-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCC1CCCCN1C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-6-14-19(17-11-7-5-8-12-17)20-16-18-13-9-10-15-21(18)2/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyOIUUJLGKAPHTTQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds8

About N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine

N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine (PubChem CID 63455775) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
PubChem CID63455775
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCC1CCCCN1C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-6-14-19(17-11-7-5-8-12-17)20-16-18-13-9-10-15-21(18)2/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyOIUUJLGKAPHTTQ-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
1-phenyl-N-(thiolan-2-ylmethyl)hexan-1-amine
CID 80584364
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
CID 80584230
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
CID 57046178
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
[[(1R,2R)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-1,2-diphenylethyl]amino] thiohypoiodite
CID 167221164
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine (CID 63455775) is N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine is CCCCCC(NCC1CCCCN1C)c1ccccc1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine?
The InChIKey is OIUUJLGKAPHTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-4-6-14-19(17-11-7-5-8-12-17)20-16-18-13-9-10-15-21(18)2/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine?
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 63455775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).