2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one

C10H18FNO — CID 130164983

IUPAC2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO/c1-8-4-6-12(7-5-8)9(13)10(2,3)11/h8H,4-7H2,1-3H3
InChIKeyNLOWFGJBVRMEJF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.99
Rot. Bonds1

About 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one

2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 130164983) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID130164983
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO/c1-8-4-6-12(7-5-8)9(13)10(2,3)11/h8H,4-7H2,1-3H3
InChIKeyNLOWFGJBVRMEJF-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-Methylpiperidino)-3-oxopropanenitrile
CID 300920
(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
Piperidine, 1-(2-propylvaleryl)-
CID 201026
1-Acetyl-4-methylpiperidine
CID 78341
1-Piperidino-2-ethyl-1-butanone
CID 5052838
1-(1-Isobutyrylpiperidin-4-yl)methanamine
CID 42562155
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one (CID 130164983) is 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is NLOWFGJBVRMEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8-4-6-12(7-5-8)9(13)10(2,3)11/h8H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?
2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 187.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 130164983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).