1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C17H20ClN3O — CID 53180161

IUPAC1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O/c18-15-6-4-14(5-7-15)16(22)13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8,16,22H,9-13H2
InChIKeyVQVFSIKVXDDZME-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 53180161) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID53180161
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O/c18-15-6-4-14(5-7-15)16(22)13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8,16,22H,9-13H2
InChIKeyVQVFSIKVXDDZME-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 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 53180161) is 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is OC(CN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is VQVFSIKVXDDZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-6-4-14(5-7-15)16(22)13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8,16,22H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol 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 1-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 53180161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).