2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol

C20H25ClN2O — CID 45248984

IUPAC2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc(Cl)c2)CCN1Cc1ccccc1
InChIInChI=1S/C20H25ClN2O/c21-19-8-4-7-18(13-19)14-22-10-11-23(20(16-22)9-12-24)15-17-5-2-1-3-6-17/h1-8,13,20,24H,9-12,14-16H2
InChIKeyWUABWHBBIZGQRS-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol

2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45248984) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45248984
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc(Cl)c2)CCN1Cc1ccccc1
InChIInChI=1S/C20H25ClN2O/c21-19-8-4-7-18(13-19)14-22-10-11-23(20(16-22)9-12-24)15-17-5-2-1-3-6-17/h1-8,13,20,24H,9-12,14-16H2
InChIKeyWUABWHBBIZGQRS-UHFFFAOYSA-N
XLogP3.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol (CID 45248984) is 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2cccc(Cl)c2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is WUABWHBBIZGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c21-19-8-4-7-18(13-19)14-22-10-11-23(20(16-22)9-12-24)15-17-5-2-1-3-6-17/h1-8,13,20,24H,9-12,14-16H2.
What are the key properties of 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol?
2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 344.89 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[(3-chlorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45248984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).