2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine

C17H20ClN3 — CID 120780051

IUPAC2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15/h2-6,9-10,17,19H,7-8,11-12H2,1H3
InChIKeyYCISBIDOUYYYDY-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.19
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine

2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 120780051) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
PubChem CID120780051
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15/h2-6,9-10,17,19H,7-8,11-12H2,1H3
InChIKeyYCISBIDOUYYYDY-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
CID 120780080
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine (CID 120780051) is 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine is Cc1ccc(CN2CCNCC2c2cccc(Cl)c2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is YCISBIDOUYYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15/h2-6,9-10,17,19H,7-8,11-12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 301.82 g/mol, XLogP of 3.19, 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-[(6-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 120780051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).