1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine

C32H36N4 — CID 59037180

IUPAC1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cccc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)c1
InChIInChI=1S/C32H36N4/c1-23-6-5-7-29(16-23)31-19-27(8-10-33-31)21-35-12-14-36(15-13-35)22-28-9-11-34-32(20-28)30-17-24(2)26(4)25(3)18-30/h5-11,16-20H,12-15,21-22H2,1-4H3
InChIKeyXADBSFPNDDRYHZ-UHFFFAOYSA-N
MW476.67 g/mol
LogP6.36
Rot. Bonds6

About 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine

1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (PubChem CID 59037180) has the molecular formula C32H36N4 and a molecular weight of 476.67 g/mol. Its IUPAC name is 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
PubChem CID59037180
Molecular FormulaC32H36N4
Molecular Weight476.67 g/mol
Exact Mass476.29
IUPAC Name1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cccc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)c1
InChIInChI=1S/C32H36N4/c1-23-6-5-7-29(16-23)31-19-27(8-10-33-31)21-35-12-14-36(15-13-35)22-28-9-11-34-32(20-28)30-17-24(2)26(4)25(3)18-30/h5-11,16-20H,12-15,21-22H2,1-4H3
InChIKeyXADBSFPNDDRYHZ-UHFFFAOYSA-N
XLogP6.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]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

1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165
1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037195
1-[3-(3,4,5-trimethylphenyl)propyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037199
N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 162051714
(Z)-but-2-enedioic acid;1-[(4-chlorophenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 90742566
2-phenyl-1-[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 158580704
1-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 161333422
N-(3-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352526
(Z)-but-2-enedioic acid;4-(3,4,5-trimethylphenyl)-6-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 90875817
(Z)-but-2-enedioic acid;1-[(4-tert-butylphenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 91054671
N-[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 162040484
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (CID 59037180) is 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is Cc1cccc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)c1.
What is the InChIKey of 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The InChIKey is XADBSFPNDDRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4/c1-23-6-5-7-29(16-23)31-19-27(8-10-33-31)21-35-12-14-36(15-13-35)22-28-9-11-34-32(20-28)30-17-24(2)26(4)25(3)18-30/h5-11,16-20H,12-15,21-22H2,1-4H3.
What are the key properties of 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine has a molecular weight of 476.67 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is sourced from PubChem (CID 59037180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).