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

C25H30N4 — CID 59037195

IUPAC1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cc(-c2cc(CN3CCN(Cc4ccncc4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C25H30N4/c1-19-14-24(15-20(2)21(19)3)25-16-23(6-9-27-25)18-29-12-10-28(11-13-29)17-22-4-7-26-8-5-22/h4-9,14-16H,10-13,17-18H2,1-3H3
InChIKeyPDNQHFWYSZQJRR-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.39
Rot. Bonds5

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

1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (PubChem CID 59037195) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
PubChem CID59037195
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cc(-c2cc(CN3CCN(Cc4ccncc4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C25H30N4/c1-19-14-24(15-20(2)21(19)3)25-16-23(6-9-27-25)18-29-12-10-28(11-13-29)17-22-4-7-26-8-5-22/h4-9,14-16H,10-13,17-18H2,1-3H3
InChIKeyPDNQHFWYSZQJRR-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037180
1-[3-(3,4,5-trimethylphenyl)propyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037199
1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165
(Z)-but-2-enedioic acid;1-[(4-chlorophenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 90742566
(Z)-but-2-enedioic acid;1-[(4-tert-butylphenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 91054671
2-phenyl-1-[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 158580704
(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
8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 21352355
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
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
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
1-[(3-bromo-4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 86785782

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (CID 59037195) is 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is Cc1cc(-c2cc(CN3CCN(Cc4ccncc4)CC3)ccn2)cc(C)c1C.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The InChIKey is PDNQHFWYSZQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-14-24(15-20(2)21(19)3)25-16-23(6-9-27-25)18-29-12-10-28(11-13-29)17-22-4-7-26-8-5-22/h4-9,14-16H,10-13,17-18H2,1-3H3.
What are the key properties of 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine has a molecular weight of 386.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is sourced from PubChem (CID 59037195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).