[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol

C16H18ClN3O — CID 62254104

IUPAC[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16-7-3-4-13(12-21)18-16/h1-7,21H,8-12H2
InChIKeyJWXUETXHNOOJAF-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.55
Rot. Bonds3

About [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol

[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol (PubChem CID 62254104) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol
PubChem CID62254104
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16-7-3-4-13(12-21)18-16/h1-7,21H,8-12H2
InChIKeyJWXUETXHNOOJAF-UHFFFAOYSA-N
XLogP2.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol (CID 62254104) is [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol is OCc1cccc(N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol?
The InChIKey is JWXUETXHNOOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16-7-3-4-13(12-21)18-16/h1-7,21H,8-12H2.
What are the key properties of [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol?
[6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol has a molecular weight of 303.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-chlorophenyl)piperazin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 62254104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).