[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C17H22ClFN2O2 — CID 74235574

IUPAC[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CCC1
InChIInChI=1S/C17H22ClFN2O2/c1-23-12-17(5-2-6-17)16(22)21-9-7-20(8-10-21)13-3-4-15(19)14(18)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyBJFOVOLMWFNTGL-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.94
Rot. Bonds4

About [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 74235574) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID74235574
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CCC1
InChIInChI=1S/C17H22ClFN2O2/c1-23-12-17(5-2-6-17)16(22)21-9-7-20(8-10-21)13-3-4-15(19)14(18)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyBJFOVOLMWFNTGL-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74245884
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
1-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-methoxypentane-1,4-dione
CID 137467859
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640799
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1-(methoxymethyl)cyclobutyl]methanone
CID 70786279
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
tert-butyl 6-(3-chloro-4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 168920700
1-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 77096349

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 74235574) is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CCC1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is BJFOVOLMWFNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-23-12-17(5-2-6-17)16(22)21-9-7-20(8-10-21)13-3-4-15(19)14(18)11-13/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 340.83 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 74235574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).