[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone

C18H18Cl2N2O2 — CID 113077108

IUPAC[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-7-6-13(12-16(17)20)21-8-10-22(11-9-21)18(23)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3
InChIKeyMMBBJMIRMTYEIE-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.96
Rot. Bonds3

About [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone

[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 113077108) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
PubChem CID113077108
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-7-6-13(12-16(17)20)21-8-10-22(11-9-21)18(23)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3
InChIKeyMMBBJMIRMTYEIE-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone (CID 113077108) is [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is MMBBJMIRMTYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-17-7-6-13(12-16(17)20)21-8-10-22(11-9-21)18(23)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 365.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 113077108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).