4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine

C19H32N2 — CID 106640732

IUPAC4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
SMILESCCCN(CCCCc1ccccc1)CC1CCCNC1
InChIInChI=1S/C19H32N2/c1-2-14-21(17-19-12-8-13-20-16-19)15-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3
InChIKeyLIOSZPNNELOBIH-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.72
Rot. Bonds9

About 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine

4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine (PubChem CID 106640732) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
PubChem CID106640732
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
SMILESCCCN(CCCCc1ccccc1)CC1CCCNC1
InChIInChI=1S/C19H32N2/c1-2-14-21(17-19-12-8-13-20-16-19)15-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3
InChIKeyLIOSZPNNELOBIH-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-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-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640830
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine?
The IUPAC name of 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine (CID 106640732) is 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine is CCCN(CCCCc1ccccc1)CC1CCCNC1.
What is the InChIKey of 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine?
The InChIKey is LIOSZPNNELOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-14-21(17-19-12-8-13-20-16-19)15-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3.
What are the key properties of 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine?
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine is sourced from PubChem (CID 106640732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).