1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one

C16H21ClFNO — CID 105394302

IUPAC1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(F)ccc1Cl)N1CCCCC1
InChIInChI=1S/C16H21ClFNO/c1-3-16(2,19-9-5-4-6-10-19)15(20)13-11-12(18)7-8-14(13)17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyXEOTUUVMGLGEFX-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one

1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one (PubChem CID 105394302) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
PubChem CID105394302
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(F)ccc1Cl)N1CCCCC1
InChIInChI=1S/C16H21ClFNO/c1-3-16(2,19-9-5-4-6-10-19)15(20)13-11-12(18)7-8-14(13)17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyXEOTUUVMGLGEFX-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069623
1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 103039428
1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045460
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 105394304
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-one
CID 79065128
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318
2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069628

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one (CID 105394302) is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one is CCC(C)(C(=O)c1cc(F)ccc1Cl)N1CCCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The InChIKey is XEOTUUVMGLGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-3-16(2,19-9-5-4-6-10-19)15(20)13-11-12(18)7-8-14(13)17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one has a molecular weight of 297.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 105394302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).