1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine

C20H25ClN2 — CID 742594

IUPAC1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESClc1ccccc1CN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2/c21-20-11-5-4-10-19(20)17-23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyFBMFTEOUAOEHTL-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.09
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine

1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine (PubChem CID 742594) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
PubChem CID742594
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESClc1ccccc1CN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2/c21-20-11-5-4-10-19(20)17-23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyFBMFTEOUAOEHTL-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine 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
Clobenzorex
CID 735998
Cyclizine Hydrochloride
CID 6420019
Meclozine Dihydrochloride
CID 64713
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
1,4-Dibenzylpiperazine
CID 200601
Meclizine Monohydrochloride
CID 92303
Clocinizine
CID 5375618

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine (CID 742594) is 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine is Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is FBMFTEOUAOEHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c21-20-11-5-4-10-19(20)17-23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 328.89 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 742594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).