1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine

C24H33N3 — CID 77081012

IUPAC1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(CC2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H33N3/c1-25-14-16-26(17-15-25)19-22-6-5-13-27(20-22)18-21-9-11-24(12-10-21)23-7-3-2-4-8-23/h2-4,7-12,22H,5-6,13-20H2,1H3
InChIKeyOKQIMIKYEJQUTB-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.81
Rot. Bonds5

About 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine

1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine (PubChem CID 77081012) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
PubChem CID77081012
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(CC2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H33N3/c1-25-14-16-26(17-15-25)19-22-6-5-13-27(20-22)18-21-9-11-24(12-10-21)23-7-3-2-4-8-23/h2-4,7-12,22H,5-6,13-20H2,1H3
InChIKeyOKQIMIKYEJQUTB-UHFFFAOYSA-N
XLogP3.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine 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-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140
1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
CID 77088709
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 77091017
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine (CID 77081012) is 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine is CN1CCN(CC2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)CC1.
What is the InChIKey of 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine?
The InChIKey is OKQIMIKYEJQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-25-14-16-26(17-15-25)19-22-6-5-13-27(20-22)18-21-9-11-24(12-10-21)23-7-3-2-4-8-23/h2-4,7-12,22H,5-6,13-20H2,1H3.
What are the key properties of 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine?
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine has a molecular weight of 363.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 77081012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).