1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone

C19H21ClN2O — CID 14070361

IUPAC1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-15(23)21-11-13-22(14-12-21)19(16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,19H,11-14H2,1H3
InChIKeySQGNETKFPNXNSE-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.59
Rot. Bonds3

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

1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone (PubChem CID 14070361) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone
PubChem CID14070361
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-15(23)21-11-13-22(14-12-21)19(16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,19H,11-14H2,1H3
InChIKeySQGNETKFPNXNSE-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612
Meclizine Monohydrochloride
CID 92303
Mjn110
CID 71722059
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
Cetirizine amide
CID 3068840
Clocinizine
CID 5375618

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone (CID 14070361) is 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone?
The InChIKey is SQGNETKFPNXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15(23)21-11-13-22(14-12-21)19(16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,19H,11-14H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone?
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone has a molecular weight of 328.84 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 14070361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).