1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine

C20H23ClN2O2 — CID 69440754

IUPAC1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C20H23ClN2O2/c21-17-4-6-18(7-5-17)23-12-10-22(11-13-23)9-1-2-16-3-8-19-20(14-16)25-15-24-19/h3-8,14H,1-2,9-13,15H2
InChIKeyRPDGZIPNHMLYGV-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine

1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine (PubChem CID 69440754) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
PubChem CID69440754
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C20H23ClN2O2/c21-17-4-6-18(7-5-17)23-12-10-22(11-13-23)9-1-2-16-3-8-19-20(14-16)25-15-24-19/h3-8,14H,1-2,9-13,15H2
InChIKeyRPDGZIPNHMLYGV-UHFFFAOYSA-N
XLogP3.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
CID 53329789
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389792
1-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 3238991
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 67457316
1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
CID 170864258
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
3-(4-chlorophenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 155273075
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390491

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine (CID 69440754) is 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(CCCc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine?
The InChIKey is RPDGZIPNHMLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-4-6-18(7-5-17)23-12-10-22(11-13-23)9-1-2-16-3-8-19-20(14-16)25-15-24-19/h3-8,14H,1-2,9-13,15H2.
What are the key properties of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine?
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine has a molecular weight of 358.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 69440754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).