1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride

C18H22Cl2N2 — CID 45263405

IUPAC1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H21ClN2.ClH/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21;/h1-9,18,20H,10-14H2;1H
InChIKeyIBUZSMCHAASZTO-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.95
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride

1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride (PubChem CID 45263405) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride
PubChem CID45263405
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC Name1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H21ClN2.ClH/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21;/h1-9,18,20H,10-14H2;1H
InChIKeyIBUZSMCHAASZTO-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride (CID 45263405) is 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride is Cl.Clc1ccccc1CC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride?
The InChIKey is IBUZSMCHAASZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2.ClH/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21;/h1-9,18,20H,10-14H2;1H.
What are the key properties of 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride?
1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride has a molecular weight of 337.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-1-phenylethyl]piperazine;hydrochloride is sourced from PubChem (CID 45263405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).