2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol

C17H20ClN3O — CID 120780083

IUPAC2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H20ClN3O/c1-12-5-6-17(22)15(20-12)11-21-8-7-19-10-16(21)13-3-2-4-14(18)9-13/h2-6,9,16,19,22H,7-8,10-11H2,1H3
InChIKeyCJMOVVGIFJSSIE-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.90
Rot. Bonds3

About 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 120780083) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID120780083
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H20ClN3O/c1-12-5-6-17(22)15(20-12)11-21-8-7-19-10-16(21)13-3-2-4-14(18)9-13/h2-6,9,16,19,22H,7-8,10-11H2,1H3
InChIKeyCJMOVVGIFJSSIE-UHFFFAOYSA-N
XLogP2.90
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
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
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780200
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol (CID 120780083) is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCNCC2c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is CJMOVVGIFJSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-5-6-17(22)15(20-12)11-21-8-7-19-10-16(21)13-3-2-4-14(18)9-13/h2-6,9,16,19,22H,7-8,10-11H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 317.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 120780083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).