[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

C19H20Cl2N2O — CID 18664719

IUPAC[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN[C@H](c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C19H20Cl2N2O/c1-12-7-13(2)9-15(8-12)19(24)23-6-5-22-18(11-23)14-3-4-16(20)17(21)10-14/h3-4,7-10,18,22H,5-6,11H2,1-2H3/t18-/m0/s1
InChIKeyBADGVUWNXHZMIU-SFHVURJKSA-N
MW363.29 g/mol
LogP4.40
Rot. Bonds2

About [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 18664719) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID18664719
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN[C@H](c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C19H20Cl2N2O/c1-12-7-13(2)9-15(8-12)19(24)23-6-5-22-18(11-23)14-3-4-16(20)17(21)10-14/h3-4,7-10,18,22H,5-6,11H2,1-2H3/t18-/m0/s1
InChIKeyBADGVUWNXHZMIU-SFHVURJKSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472
1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-[(3-ethyl-3-azabicyclo[3.2.1]octan-8-yl)amino]ethanone
CID 54251183
[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
CID 166254428
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976
1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]ethanone
CID 57015283

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (CID 18664719) is [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCN[C@H](c3ccc(Cl)c(Cl)c3)C2)c1.
What is the InChIKey of [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is BADGVUWNXHZMIU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-12-7-13(2)9-15(8-12)19(24)23-6-5-22-18(11-23)14-3-4-16(20)17(21)10-14/h3-4,7-10,18,22H,5-6,11H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 363.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 18664719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).