1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one

C14H25FN2O — CID 67034860

IUPAC1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one
SMILESCC(C)(C)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C14H25FN2O/c1-14(2,3)16-9-7-11(15)12(10-16)17-8-5-4-6-13(17)18/h11-12H,4-10H2,1-3H3
InChIKeyHISDYOQIICYHER-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.21
Rot. Bonds1

About 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one

1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one (PubChem CID 67034860) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one
PubChem CID67034860
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one
SMILESCC(C)(C)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C14H25FN2O/c1-14(2,3)16-9-7-11(15)12(10-16)17-8-5-4-6-13(17)18/h11-12H,4-10H2,1-3H3
InChIKeyHISDYOQIICYHER-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1,1-Dimethylpiperidin-1-ium-2-yl)methyl]piperidin-2-one
CID 44350004
1-[(1-Methylpiperidin-2-yl)methyl]piperidin-2-one
CID 44350061
1-(1-Oxo-1-piperidin-1-ylpropan-2-yl)piperidin-2-one
CID 84583535
[1-(2,2-Difluoroethyl)piperidin-3-yl]-(2,4,5-trimethylpiperazin-1-yl)methanone
CID 132318448
(4-Tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone
CID 21061558
1-[1-(Trifluoromethyl)piperidin-3-yl]piperidin-2-one
CID 67034641
Tert-butyl 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 67972040
tert-Butyl (3'R,5'S)-5'-fluoro-2-oxo[1,3'-bipiperidine]-1'-carboxylate
CID 67972041
Tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 67972227
3-Fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 67972575
N-ethyl-N-(4-fluoro-1-methylpiperidin-3-yl)butanamide
CID 68384803
(4S)-1-tert-butyl-4-fluoropiperidin-2-one
CID 118581532

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one?
The IUPAC name of 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one (CID 67034860) is 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one.
What is the SMILES notation for 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one?
The canonical SMILES for 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one is CC(C)(C)N1CCC(F)C(N2CCCCC2=O)C1.
What is the InChIKey of 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one?
The InChIKey is HISDYOQIICYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-14(2,3)16-9-7-11(15)12(10-16)17-8-5-4-6-13(17)18/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one?
1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one has a molecular weight of 256.36 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one is sourced from PubChem (CID 67034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).