2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine

C15H18N4 — CID 120768078

IUPAC2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESc1cncc(C2CNCCN2Cc2ccncc2)c1
InChIInChI=1S/C15H18N4/c1-2-14(10-17-5-1)15-11-18-8-9-19(15)12-13-3-6-16-7-4-13/h1-7,10,15,18H,8-9,11-12H2
InChIKeyOBAVBORTVBLDEF-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.62
Rot. Bonds3

About 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine

2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 120768078) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID120768078
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESc1cncc(C2CNCCN2Cc2ccncc2)c1
InChIInChI=1S/C15H18N4/c1-2-14(10-17-5-1)15-11-18-8-9-19(15)12-13-3-6-16-7-4-13/h1-7,10,15,18H,8-9,11-12H2
InChIKeyOBAVBORTVBLDEF-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768312
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine (CID 120768078) is 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine is c1cncc(C2CNCCN2Cc2ccncc2)c1.
What is the InChIKey of 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is OBAVBORTVBLDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-14(10-17-5-1)15-11-18-8-9-19(15)12-13-3-6-16-7-4-13/h1-7,10,15,18H,8-9,11-12H2.
What are the key properties of 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine?
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 254.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 120768078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).