N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine

C17H28N2 — CID 61206343

IUPACN-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H28N2/c1-3-8-17(16-10-5-4-6-11-16)19-12-7-9-15(14-19)13-18-2/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3
InChIKeyVCFMIKODXLRLBT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine

N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine (PubChem CID 61206343) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
PubChem CID61206343
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H28N2/c1-3-8-17(16-10-5-4-6-11-16)19-12-7-9-15(14-19)13-18-2/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3
InChIKeyVCFMIKODXLRLBT-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine 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-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 61205988
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
1-benzhydryl-3-ethylpiperidine
CID 22970041
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine (CID 61206343) is N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine is CCCC(c1ccccc1)N1CCCC(CNC)C1.
What is the InChIKey of N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine?
The InChIKey is VCFMIKODXLRLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-8-17(16-10-5-4-6-11-16)19-12-7-9-15(14-19)13-18-2/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).