1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride

C19H22Cl2N2O2 — CID 53329790

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H21ClN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H
InChIKeyUZDCRAOBOSJCEU-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride

1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride (PubChem CID 53329790) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride
PubChem CID53329790
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H21ClN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H
InChIKeyUZDCRAOBOSJCEU-UHFFFAOYSA-N
XLogP3.86
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride (CID 53329790) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride is Cl.Clc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride?
The InChIKey is UZDCRAOBOSJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride?
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 53329790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).