2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine

C16H18ClN3 — CID 120780257

IUPAC2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
SMILESClc1cccc(C2CNCCN2Cc2cccnc2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-1-4-14(9-15)16-11-19-7-8-20(16)12-13-3-2-6-18-10-13/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyLPGYLUPPNJFNED-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine

2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 120780257) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
PubChem CID120780257
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
SMILESClc1cccc(C2CNCCN2Cc2cccnc2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-1-4-14(9-15)16-11-19-7-8-20(16)12-13-3-2-6-18-10-13/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyLPGYLUPPNJFNED-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120780238
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine (CID 120780257) is 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine is Clc1cccc(C2CNCCN2Cc2cccnc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is LPGYLUPPNJFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-15-5-1-4-14(9-15)16-11-19-7-8-20(16)12-13-3-2-6-18-10-13/h1-6,9-10,16,19H,7-8,11-12H2.
What are the key properties of 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine?
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 287.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 120780257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).