N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine

C17H28N2 — CID 78911476

IUPACN-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCc2ccccc2C)CC1
InChIInChI=1S/C17H28N2/c1-3-12-19-13-9-17(10-14-19)18-11-8-16-7-5-4-6-15(16)2/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyIHDGBGNCXPHXAT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine

N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 78911476) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID78911476
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCCc2ccccc2C)CC1
InChIInChI=1S/C17H28N2/c1-3-12-19-13-9-17(10-14-19)18-11-8-16-7-5-4-6-15(16)2/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyIHDGBGNCXPHXAT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-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-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 79762949
N-(3,3-diphenylpropyl)-1-propylpiperidin-4-amine
CID 2846321
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
3-ethyl-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79032945
1,5-dimethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81301413
N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 79749734
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide
CID 173423133
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
CID 80680846
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine (CID 78911476) is N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCCc2ccccc2C)CC1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is IHDGBGNCXPHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-12-19-13-9-17(10-14-19)18-11-8-16-7-5-4-6-15(16)2/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 78911476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).