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

C18H21ClN2O — CID 2766984

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-7-4-8-17(13-16)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2
InChIKeyVPULMRMPHWSSHF-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.20
Rot. Bonds4

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 2766984) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol
PubChem CID2766984
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-7-4-8-17(13-16)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2
InChIKeyVPULMRMPHWSSHF-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol (CID 2766984) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol is OC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is VPULMRMPHWSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-7-4-8-17(13-16)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 316.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 2766984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).