(3R)-1-cyclopropyl-3-fluoropiperidin-4-one

C8H12FNO — CID 125451800

IUPAC(3R)-1-cyclopropyl-3-fluoropiperidin-4-one
SMILESO=C1CCN(C2CC2)C[C@H]1F
InChIInChI=1S/C8H12FNO/c9-7-5-10(6-1-2-6)4-3-8(7)11/h6-7H,1-5H2/t7-/m1/s1
InChIKeyDUBMCQHYQWFQGM-SSDOTTSWSA-N
MW157.19 g/mol
LogP0.76
Rot. Bonds1

About (3R)-1-cyclopropyl-3-fluoropiperidin-4-one

(3R)-1-cyclopropyl-3-fluoropiperidin-4-one (PubChem CID 125451800) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-3-fluoropiperidin-4-one.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-3-fluoropiperidin-4-one
PubChem CID125451800
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(3R)-1-cyclopropyl-3-fluoropiperidin-4-one
SMILESO=C1CCN(C2CC2)C[C@H]1F
InChIInChI=1S/C8H12FNO/c9-7-5-10(6-1-2-6)4-3-8(7)11/h6-7H,1-5H2/t7-/m1/s1
InChIKeyDUBMCQHYQWFQGM-SSDOTTSWSA-N
XLogP0.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one
CID 114509040
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
1-cyclopropyl-4-fluoropiperidine
CID 154325828
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-cyclopropyl-3,3-dimethylpiperidin-4-one
CID 117024261
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 114762273
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
(2S)-2-fluorocyclopropan-1-one
CID 71362545
1-cyclodecylpyrrolidin-3-one
CID 138676614
1-(oxan-4-yl)piperidin-4-one
CID 43610249
4-(4-aminopiperidin-1-yl)cyclohexan-1-one
CID 124908636
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-3-fluoropiperidin-4-one?
The IUPAC name of (3R)-1-cyclopropyl-3-fluoropiperidin-4-one (CID 125451800) is (3R)-1-cyclopropyl-3-fluoropiperidin-4-one.
What is the SMILES notation for (3R)-1-cyclopropyl-3-fluoropiperidin-4-one?
The canonical SMILES for (3R)-1-cyclopropyl-3-fluoropiperidin-4-one is O=C1CCN(C2CC2)C[C@H]1F.
What is the InChIKey of (3R)-1-cyclopropyl-3-fluoropiperidin-4-one?
The InChIKey is DUBMCQHYQWFQGM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7-5-10(6-1-2-6)4-3-8(7)11/h6-7H,1-5H2/t7-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-3-fluoropiperidin-4-one?
(3R)-1-cyclopropyl-3-fluoropiperidin-4-one has a molecular weight of 157.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-3-fluoropiperidin-4-one is sourced from PubChem (CID 125451800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).