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

C17H20ClN3O — CID 3044996

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C17H20ClN3O/c18-15-3-5-16(6-4-15)21-10-8-20(9-11-21)13-17(22)14-2-1-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKeyXZNTWHDKCQBRFP-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.59
Rot. Bonds4

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (PubChem CID 3044996) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
PubChem CID3044996
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C17H20ClN3O/c18-15-3-5-16(6-4-15)21-10-8-20(9-11-21)13-17(22)14-2-1-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKeyXZNTWHDKCQBRFP-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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Related Compounds

2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 5183030
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
CID 90407356
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856413
1-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol
CID 20533526
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 14099726
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (CID 3044996) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is OC(CN1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is XZNTWHDKCQBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-3-5-16(6-4-15)21-10-8-20(9-11-21)13-17(22)14-2-1-7-19-12-14/h1-7,12,17,22H,8-11,13H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
2-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 3044996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).