1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine

C18H21ClN2 — CID 2056063

IUPAC1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2/c1-15-5-2-3-6-16(15)14-20-9-11-21(12-10-20)18-8-4-7-17(19)13-18/h2-8,13H,9-12,14H2,1H3
InChIKeyJEFSZSYAEZTAQW-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.97
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine

1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 2056063) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine
PubChem CID2056063
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN2/c1-15-5-2-3-6-16(15)14-20-9-11-21(12-10-20)18-8-4-7-17(19)13-18/h2-8,13H,9-12,14H2,1H3
InChIKeyJEFSZSYAEZTAQW-UHFFFAOYSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mianserin Hydrochloride
CID 68551
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
2-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]ethanamine
CID 3237236
1-(2-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 409926
1-(3-Chlorophenyl)-4-octylpiperazine
CID 14960355
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 2845629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine (CID 2056063) is 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is JEFSZSYAEZTAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-15-5-2-3-6-16(15)14-20-9-11-21(12-10-20)18-8-4-7-17(19)13-18/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 300.83 g/mol, XLogP of 3.97, 3 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-methylphenyl)methyl]piperazine is sourced from PubChem (CID 2056063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).