2-(4-chlorophenyl)-2-piperazin-1-ylethanol

C12H17ClN2O — CID 54592907

IUPAC2-(4-chlorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeyHWLRKTCRHHWKCQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.28
Rot. Bonds3

About 2-(4-chlorophenyl)-2-piperazin-1-ylethanol

2-(4-chlorophenyl)-2-piperazin-1-ylethanol (PubChem CID 54592907) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-piperazin-1-ylethanol
PubChem CID54592907
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(4-chlorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeyHWLRKTCRHHWKCQ-UHFFFAOYSA-N
XLogP1.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-piperazin-1-ylethanol (CID 54592907) is 2-(4-chlorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-piperazin-1-ylethanol is OCC(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is HWLRKTCRHHWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2.
What are the key properties of 2-(4-chlorophenyl)-2-piperazin-1-ylethanol?
2-(4-chlorophenyl)-2-piperazin-1-ylethanol has a molecular weight of 240.73 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 54592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).