[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C18H18Cl2N2O2 — CID 113080416

IUPAC[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3
InChIKeyQQZXTKLOKWTWQQ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.96
Rot. Bonds3

About [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 113080416) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID113080416
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3
InChIKeyQQZXTKLOKWTWQQ-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-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539499
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 50880133
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53203694
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17066196
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 113080416) is [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QQZXTKLOKWTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3.
What are the key properties of [4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-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-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 113080416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).