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

C18H21ClN2 — CID 763760

IUPAC1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H21ClN2/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18-7-5-17(19)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyYFVRUSSYKPOITK-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.97
Rot. Bonds3

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

1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 763760) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine
PubChem CID763760
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H21ClN2/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18-7-5-17(19)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyYFVRUSSYKPOITK-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine (CID 763760) is 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is YFVRUSSYKPOITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18-7-5-17(19)6-8-18/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(3-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-(4-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 763760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).