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

C19H25N3 — CID 120768364

IUPAC2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCNCC2c2cccnc2)cc1C
InChIInChI=1S/C19H25N3/c1-14-9-16(3)18(10-15(14)2)13-22-8-7-21-12-19(22)17-5-4-6-20-11-17/h4-6,9-11,19,21H,7-8,12-13H2,1-3H3
InChIKeyHCNPMPGUZIIYDV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.15
Rot. Bonds3

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

2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine (PubChem CID 120768364) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
PubChem CID120768364
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCNCC2c2cccnc2)cc1C
InChIInChI=1S/C19H25N3/c1-14-9-16(3)18(10-15(14)2)13-22-8-7-21-12-19(22)17-5-4-6-20-11-17/h4-6,9-11,19,21H,7-8,12-13H2,1-3H3
InChIKeyHCNPMPGUZIIYDV-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[2,4,6-trimethyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]ethanone
CID 120755321
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[2,4,6-trimethyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]ethanone;hydrochloride
CID 120755320
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine?
The IUPAC name of 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine (CID 120768364) is 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine is Cc1cc(C)c(CN2CCNCC2c2cccnc2)cc1C.
What is the InChIKey of 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine?
The InChIKey is HCNPMPGUZIIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-14-9-16(3)18(10-15(14)2)13-22-8-7-21-12-19(22)17-5-4-6-20-11-17/h4-6,9-11,19,21H,7-8,12-13H2,1-3H3.
What are the key properties of 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine?
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine has a molecular weight of 295.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 120768364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).