1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride

C20H26Cl2N2O2 — CID 3064104

IUPAC1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21;/h3-8,15H,9-14H2,1-2H3;1H
InChIKeyOLNILWXSMRXMKF-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.14
Rot. Bonds6

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

1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 3064104) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID3064104
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21;/h3-8,15H,9-14H2,1-2H3;1H
InChIKeyOLNILWXSMRXMKF-UHFFFAOYSA-N
XLogP4.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride (CID 3064104) is 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride is COc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is OLNILWXSMRXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2.ClH/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21;/h3-8,15H,9-14H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride?
1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 397.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 3064104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).