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

C9H16FNO — CID 58812206

IUPAC1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(F)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyFGVUVGHRBOZMGW-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.60
Rot. Bonds1

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

1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 58812206) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
PubChem CID58812206
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(F)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(12)11-5-3-4-8(10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyFGVUVGHRBOZMGW-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
3-(3-fluoropiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 164657894
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
2-methyl-1-[(3S)-3-propan-2-ylazepan-1-yl]propan-1-one
CID 156676279
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[(4S)-4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-methylpropan-1-one
CID 134565803
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
1-[3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43419670

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one (CID 58812206) is 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(F)C1.
What is the InChIKey of 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is FGVUVGHRBOZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(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-methylpropan-1-one?
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 173.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 58812206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).