1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine

C19H23ClN2 — CID 4992580

IUPAC1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine
SMILESClc1cccc(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2
InChIKeyLJDXYTBGUJEQSY-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.09
Rot. Bonds5

About 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine

1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine (PubChem CID 4992580) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine
PubChem CID4992580
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine
SMILESClc1cccc(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2
InChIKeyLJDXYTBGUJEQSY-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine (CID 4992580) is 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine is Clc1cccc(N2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is LJDXYTBGUJEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2.
What are the key properties of 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine?
1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 314.86 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 4992580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).