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

C20H25ClN2O2 — CID 3064105

IUPAC1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/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
InChIKeyPJDRMPCBIWKBJA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.72
Rot. Bonds6

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

1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine (PubChem CID 3064105) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
PubChem CID3064105
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/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
InChIKeyPJDRMPCBIWKBJA-UHFFFAOYSA-N
XLogP3.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.72
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?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine (CID 3064105) is 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine is COc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is PJDRMPCBIWKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/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.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 360.89 g/mol, XLogP of 3.72, 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 is sourced from PubChem (CID 3064105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).