1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine

C18H19ClN2O2 — CID 791218

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-15-2-4-16(5-3-15)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)23-13-22-17/h1-6,11H,7-10,12-13H2
InChIKeyRGOIDEZNTLCEEO-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.39
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine

1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine (PubChem CID 791218) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
PubChem CID791218
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-15-2-4-16(5-3-15)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)23-13-22-17/h1-6,11H,7-10,12-13H2
InChIKeyRGOIDEZNTLCEEO-UHFFFAOYSA-N
XLogP3.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)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

1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 69440754
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 1131734
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzylpiperazin-1-yl)aniline
CID 19644583
1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloro-2-pyridinyl)piperazine
CID 17405853
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 3238991
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-1,3-benzothiazole
CID 90601908
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 2046958

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine (CID 791218) is 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine?
The InChIKey is RGOIDEZNTLCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-2-4-16(5-3-15)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)23-13-22-17/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine?
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine has a molecular weight of 330.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).