tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate

C11H18FNO3 — CID 175821609

IUPACtert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@](C)(F)C1
InChIInChI=1S/C11H18FNO3/c1-10(2,3)16-9(15)13-6-5-8(14)11(4,12)7-13/h5-7H2,1-4H3/t11-/m1/s1
InChIKeyVDKUDNPSRRHOQX-LLVKDONJSA-N
MW231.27 g/mol
LogP1.92
Rot. Bonds

About tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate (PubChem CID 175821609) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
PubChem CID175821609
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nametert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@](C)(F)C1
InChIInChI=1S/C11H18FNO3/c1-10(2,3)16-9(15)13-6-5-8(14)11(4,12)7-13/h5-7H2,1-4H3/t11-/m1/s1
InChIKeyVDKUDNPSRRHOQX-LLVKDONJSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-fluoro-4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate
CID 135241339
tert-butyl (3S)-3-ethyl-3-fluoro-4-oxopiperidine-1-carboxylate
CID 156538156
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
1-O-tert-butyl 3-O-ethyl (3R)-3-ethyl-4-oxopiperidine-1,3-dicarboxylate
CID 129380086
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
1-O-tert-butyl 3-O-methyl (3R)-4-oxo-3-(3-oxobutyl)piperidine-1,3-dicarboxylate
CID 92982971
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate (CID 175821609) is tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)[C@](C)(F)C1.
What is the InChIKey of tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate?
The InChIKey is VDKUDNPSRRHOQX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-10(2,3)16-9(15)13-6-5-8(14)11(4,12)7-13/h5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 175821609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).