1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine

C18H23N3 — CID 120910126

IUPAC1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESCc1cc(C)cc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C18H23N3/c1-14-9-15(2)11-16(10-14)13-21-8-7-20-12-18(21)17-3-5-19-6-4-17/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3
InChIKeyASNUNCVRILCEAU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.84
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine

1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910126) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910126
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESCc1cc(C)cc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C18H23N3/c1-14-9-15(2)11-16(10-14)13-21-8-7-20-12-18(21)17-3-5-19-6-4-17/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3
InChIKeyASNUNCVRILCEAU-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910405
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine (CID 120910126) is 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine is Cc1cc(C)cc(CN2CCNCC2c2ccncc2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is ASNUNCVRILCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-9-15(2)11-16(10-14)13-21-8-7-20-12-18(21)17-3-5-19-6-4-17/h3-6,9-11,18,20H,7-8,12-13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine?
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 281.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).