1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine

C19H23ClN2 — CID 15382021

IUPAC1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C19H23ClN2/c1-15-3-8-19(13-16(15)2)22-11-9-21(10-12-22)14-17-4-6-18(20)7-5-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFCLPEOCNWZRISM-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.28
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine (PubChem CID 15382021) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine
PubChem CID15382021
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C19H23ClN2/c1-15-3-8-19(13-16(15)2)22-11-9-21(10-12-22)14-17-4-6-18(20)7-5-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFCLPEOCNWZRISM-UHFFFAOYSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine (CID 15382021) is 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine is Cc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine?
The InChIKey is FCLPEOCNWZRISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-15-3-8-19(13-16(15)2)22-11-9-21(10-12-22)14-17-4-6-18(20)7-5-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine?
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine has a molecular weight of 314.86 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)piperazine is sourced from PubChem (CID 15382021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).