N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine

C22H30N2 — CID 58624394

IUPACN-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(-c2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C22H30N2/c1-18(2)16-24(22-11-13-23-14-12-22)17-19-7-6-10-21(15-19)20-8-4-3-5-9-20/h3-10,15,18,22-23H,11-14,16-17H2,1-2H3
InChIKeyCCYCBMJYRIXPRU-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.56
Rot. Bonds6

About N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine

N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine (PubChem CID 58624394) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
PubChem CID58624394
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(-c2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C22H30N2/c1-18(2)16-24(22-11-13-23-14-12-22)17-19-7-6-10-21(15-19)20-8-4-3-5-9-20/h3-10,15,18,22-23H,11-14,16-17H2,1-2H3
InChIKeyCCYCBMJYRIXPRU-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine (CID 58624394) is N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine is CC(C)CN(Cc1cccc(-c2ccccc2)c1)C1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine?
The InChIKey is CCYCBMJYRIXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-18(2)16-24(22-11-13-23-14-12-22)17-19-7-6-10-21(15-19)20-8-4-3-5-9-20/h3-10,15,18,22-23H,11-14,16-17H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine?
N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 58624394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).