[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine

C17H28N2 — CID 103440626

IUPAC[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCC(C)CC1CN
InChIInChI=1S/C17H28N2/c1-3-7-17(15-8-5-4-6-9-15)19-11-10-14(2)12-16(19)13-18/h4-6,8-9,14,16-17H,3,7,10-13,18H2,1-2H3
InChIKeyLNJAXHYZPDPMAB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds5

About [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine

[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine (PubChem CID 103440626) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
PubChem CID103440626
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCC(C)CC1CN
InChIInChI=1S/C17H28N2/c1-3-7-17(15-8-5-4-6-9-15)19-11-10-14(2)12-16(19)13-18/h4-6,8-9,14,16-17H,3,7,10-13,18H2,1-2H3
InChIKeyLNJAXHYZPDPMAB-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-methyl-1-(1-phenylbutyl)piperidin-2-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

[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440458
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
CID 103440507
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine (CID 103440626) is [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine is CCCC(c1ccccc1)N1CCC(C)CC1CN.
What is the InChIKey of [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The InChIKey is LNJAXHYZPDPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-7-17(15-8-5-4-6-9-15)19-11-10-14(2)12-16(19)13-18/h4-6,8-9,14,16-17H,3,7,10-13,18H2,1-2H3.
What are the key properties of [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).