tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate

C16H27NO4 — CID 124850116

IUPACtert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCCC2=O)CC1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-10-8-16(20,9-11-17)12-6-4-5-7-13(12)18/h12,20H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyPZPXDHOOEWUWTD-LBPRGKRZSA-N
MW297.39 g/mol
LogP2.51
Rot. Bonds1

About tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate (PubChem CID 124850116) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate
PubChem CID124850116
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCCC2=O)CC1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-10-8-16(20,9-11-17)12-6-4-5-7-13(12)18/h12,20H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyPZPXDHOOEWUWTD-LBPRGKRZSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate
CID 124747623
tert-butyl 4-hydroxy-4-[(1S)-2-oxocyclopentyl]piperidine-1-carboxylate
CID 124747622
tert-butyl 4-hydroxy-4-(2-oxothiolan-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;thiolan-2-one
CID 162027674
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
CID 22492894

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate (CID 124850116) is tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCCC2=O)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate?
The InChIKey is PZPXDHOOEWUWTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-10-8-16(20,9-11-17)12-6-4-5-7-13(12)18/h12,20H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate is sourced from PubChem (CID 124850116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).