2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol

C17H20ClN3O — CID 3044995

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C17H20ClN3O/c18-15-4-1-5-16(11-15)21-9-7-20(8-10-21)13-17(22)14-3-2-6-19-12-14/h1-6,11-12,17,22H,7-10,13H2
InChIKeyRQRMZLQJWWLXKF-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (PubChem CID 3044995) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
PubChem CID3044995
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C17H20ClN3O/c18-15-4-1-5-16(11-15)21-9-7-20(8-10-21)13-17(22)14-3-2-6-19-12-14/h1-6,11-12,17,22H,7-10,13H2
InChIKeyRQRMZLQJWWLXKF-UHFFFAOYSA-N
XLogP2.59
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (CID 3044995) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is OC(CN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is RQRMZLQJWWLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-4-1-5-16(11-15)21-9-7-20(8-10-21)13-17(22)14-3-2-6-19-12-14/h1-6,11-12,17,22H,7-10,13H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 317.82 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 3044995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).