2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

C19H23ClN2O — CID 3419898

IUPAC2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
InChIKeyZJQSBXXYLQGZBR-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol (PubChem CID 3419898) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
PubChem CID3419898
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
InChIKeyZJQSBXXYLQGZBR-UHFFFAOYSA-N
XLogP3.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol (CID 3419898) is 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol is OCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol?
The InChIKey is ZJQSBXXYLQGZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2.
What are the key properties of 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol?
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol has a molecular weight of 330.86 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3419898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).