1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one

C17H23ClFNO — CID 103039428

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H23ClFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-7-8-15(19)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeySVMKHVGEBBQORP-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one

1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one (PubChem CID 103039428) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
PubChem CID103039428
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H23ClFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-7-8-15(19)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeySVMKHVGEBBQORP-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 79060051
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-methoxypentan-2-one
CID 103039516
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 103040217
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-tert-butylsulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039378
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one (CID 103039428) is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one is CCC(C)(C(=O)Cc1ccc(F)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The InChIKey is SVMKHVGEBBQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-7-8-15(19)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one has a molecular weight of 311.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 103039428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).