[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

C19H21ClN2O — CID 844707

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3
InChIKeyBLIKUDGXQGBOSA-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.92
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 844707) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID844707
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3
InChIKeyBLIKUDGXQGBOSA-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone (CID 844707) is [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is BLIKUDGXQGBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-3-4-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-7-5-17(20)6-8-18/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 328.84 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).