[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine

C23H31N3 — CID 45184102

IUPAC[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(-c2ccc(N3CCC(N4CCC(CN)C4)CC3)cc2)cc1
InChIInChI=1S/C23H31N3/c1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)25-14-11-23(12-15-25)26-13-10-19(16-24)17-26/h2-9,19,23H,10-17,24H2,1H3
InChIKeyJHFHGTCVKBWSEH-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.91
Rot. Bonds4

About [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine

[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine (PubChem CID 45184102) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
PubChem CID45184102
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(-c2ccc(N3CCC(N4CCC(CN)C4)CC3)cc2)cc1
InChIInChI=1S/C23H31N3/c1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)25-14-11-23(12-15-25)26-13-10-19(16-24)17-26/h2-9,19,23H,10-17,24H2,1H3
InChIKeyJHFHGTCVKBWSEH-UHFFFAOYSA-N
XLogP3.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine 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

[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 117005645
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006052
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
4-[4-[3-(methoxymethyl)azetidin-1-yl]piperidin-1-yl]aniline
CID 171547177

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine (CID 45184102) is [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine is Cc1ccc(-c2ccc(N3CCC(N4CCC(CN)C4)CC3)cc2)cc1.
What is the InChIKey of [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is JHFHGTCVKBWSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)25-14-11-23(12-15-25)26-13-10-19(16-24)17-26/h2-9,19,23H,10-17,24H2,1H3.
What are the key properties of [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 349.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 45184102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).