1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine

C18H21ClN2 — CID 2845455

IUPAC1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine
SMILESClc1ccc(N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyDGNMYXGLQJVLLI-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.70
Rot. Bonds4

About 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine

1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine (PubChem CID 2845455) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine
PubChem CID2845455
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine
SMILESClc1ccc(N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyDGNMYXGLQJVLLI-UHFFFAOYSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine (CID 2845455) is 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine is Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine?
The InChIKey is DGNMYXGLQJVLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine?
1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine has a molecular weight of 300.83 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 2845455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).