N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine

C18H30N2 — CID 61241035

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-7-18(17-8-5-4-6-9-17)19-12-15-20-13-10-16(2)11-14-20/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyUWPWXYIIDUWLQT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 61241035) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID61241035
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-7-18(17-8-5-4-6-9-17)19-12-15-20-13-10-16(2)11-14-20/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyUWPWXYIIDUWLQT-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-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-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine (CID 61241035) is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine is CCCC(NCCN1CCC(C)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is UWPWXYIIDUWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-7-18(17-8-5-4-6-9-17)19-12-15-20-13-10-16(2)11-14-20/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 61241035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).