1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one

C9H16FNO2 — CID 164659441

IUPAC1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(F)C1
InChIInChI=1S/C9H16FNO2/c1-7(13-2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyKAKSQFGEKKNACU-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one

1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one (PubChem CID 164659441) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
PubChem CID164659441
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC(F)C1
InChIInChI=1S/C9H16FNO2/c1-7(13-2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyKAKSQFGEKKNACU-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
1-(2-methoxypropanoyl)piperidine-3-sulfonamide
CID 115643260
3-(3-fluoropiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 164657894
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxypropan-1-one
CID 115597897
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
3-fluoro-N-methoxyazepane-1-carboxamide
CID 131177037
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
methyl N-[(2S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118549134
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one (CID 164659441) is 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCCC(F)C1.
What is the InChIKey of 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is KAKSQFGEKKNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(13-2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one?
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 164659441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).