[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C18H18Cl2N2O2 — CID 113080152

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-5-3-2-4-14(17)18(23)22-10-8-21(9-11-22)13-6-7-15(19)16(20)12-13/h2-7,12H,8-11H2,1H3
InChIKeyPBNYVLAMATVYIQ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.96
Rot. Bonds3

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 113080152) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID113080152
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-5-3-2-4-14(17)18(23)22-10-8-21(9-11-22)13-6-7-15(19)16(20)12-13/h2-7,12H,8-11H2,1H3
InChIKeyPBNYVLAMATVYIQ-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

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 113080152) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PBNYVLAMATVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-17-5-3-2-4-14(17)18(23)22-10-8-21(9-11-22)13-6-7-15(19)16(20)12-13/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)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-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 113080152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).