N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

C28H34N2 — CID 118109308

IUPACN-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2/c1-24-12-14-27(15-13-24)22-29-19-17-28(18-20-29)30(23-26-10-6-3-7-11-26)21-16-25-8-4-2-5-9-25/h2-15,28H,16-23H2,1H3
InChIKeyYSPWJESGMLCYTH-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.70
Rot. Bonds8

About N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 118109308) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID118109308
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC NameN-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2/c1-24-12-14-27(15-13-24)22-29-19-17-28(18-20-29)30(23-26-10-6-3-7-11-26)21-16-25-8-4-2-5-9-25/h2-15,28H,16-23H2,1H3
InChIKeyYSPWJESGMLCYTH-UHFFFAOYSA-N
XLogP5.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)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

Related Compounds

N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
N-(1-benzylpiperidin-4-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanethioamide
CID 22643457
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
N-benzyl-1-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)piperidin-4-amine;oxalic acid
CID 2913331
N-benzyl-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 18389509
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 118109308) is N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Cc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is YSPWJESGMLCYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-24-12-14-27(15-13-24)22-29-19-17-28(18-20-29)30(23-26-10-6-3-7-11-26)21-16-25-8-4-2-5-9-25/h2-15,28H,16-23H2,1H3.
What are the key properties of N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 398.59 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 118109308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).