3-benzyl-1-(3-chlorophenyl)piperazine

C17H19ClN2 — CID 64924476

IUPAC3-benzyl-1-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H19ClN2/c18-15-7-4-8-17(12-15)20-10-9-19-16(13-20)11-14-5-2-1-3-6-14/h1-8,12,16,19H,9-11,13H2
InChIKeyPRQCTNKHVQEZQT-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.36
Rot. Bonds3

About 3-benzyl-1-(3-chlorophenyl)piperazine

3-benzyl-1-(3-chlorophenyl)piperazine (PubChem CID 64924476) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-benzyl-1-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(3-chlorophenyl)piperazine
PubChem CID64924476
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-benzyl-1-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H19ClN2/c18-15-7-4-8-17(12-15)20-10-9-19-16(13-20)11-14-5-2-1-3-6-14/h1-8,12,16,19H,9-11,13H2
InChIKeyPRQCTNKHVQEZQT-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(3-methoxyphenyl)piperazine
CID 57219049
3-benzyl-1-(2,5-dichlorophenyl)piperazine
CID 64925458
1-(3-chlorophenyl)-3-prop-2-enylpiperazine
CID 66967920
methyl 3-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072864
3-benzyl-1-(5-chloro-2-methylphenyl)piperazine
CID 64926645
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
3-benzyl-1-(4-bromo-3-methylphenyl)piperazine
CID 64925469
3-benzyl-1-(2-chloro-6-methylphenyl)piperazine
CID 66255496
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810
3-benzyl-1-(3-bromo-5-methylphenyl)piperazine
CID 107580098
3-benzyl-1-(2,5-difluorophenyl)piperazine
CID 64925374

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-chlorophenyl)piperazine?
The IUPAC name of 3-benzyl-1-(3-chlorophenyl)piperazine (CID 64924476) is 3-benzyl-1-(3-chlorophenyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(3-chlorophenyl)piperazine?
The canonical SMILES for 3-benzyl-1-(3-chlorophenyl)piperazine is Clc1cccc(N2CCNC(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-benzyl-1-(3-chlorophenyl)piperazine?
The InChIKey is PRQCTNKHVQEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-7-4-8-17(12-15)20-10-9-19-16(13-20)11-14-5-2-1-3-6-14/h1-8,12,16,19H,9-11,13H2.
What are the key properties of 3-benzyl-1-(3-chlorophenyl)piperazine?
3-benzyl-1-(3-chlorophenyl)piperazine has a molecular weight of 286.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-chlorophenyl)piperazine is sourced from PubChem (CID 64924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).