1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine

C18H21ClN2 — CID 2845469

IUPAC1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine
SMILESClc1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyNKMGWZZAFWDLFG-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine

1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine (PubChem CID 2845469) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine
PubChem CID2845469
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine
SMILESClc1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyNKMGWZZAFWDLFG-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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Related Compounds

Clomipramine
CID 2801
Clomipramine Hydrochloride
CID 68539
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
Phenbenzamine hydrochloride
CID 24180706
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine
CID 101444

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine (CID 2845469) is 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine is Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine?
The InChIKey is NKMGWZZAFWDLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine?
1-(3-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-(3-chlorophenyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 2845469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).