[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

C15H27NO2 — CID 176856922

IUPAC[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@@H]1CCCC[C@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C15H27NO2/c1-12(2)13-8-4-5-9-14(13)18-15(17)16-10-6-3-7-11-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyYGBUMXFTGVMVDD-UONOGXRCSA-N
MW253.39 g/mol
LogP3.82
Rot. Bonds2

About [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (PubChem CID 176856922) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
PubChem CID176856922
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@@H]1CCCC[C@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C15H27NO2/c1-12(2)13-8-4-5-9-14(13)18-15(17)16-10-6-3-7-11-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyYGBUMXFTGVMVDD-UONOGXRCSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-3-methyl-cis-perhydro-1,3-benzoxazine
CID 91692118
(4,4-Difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate
CID 155469669
(2-Methylcyclohexyl) 4,4-difluoropiperidine-1-carboxylate
CID 169890862
(5-methyl-2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 247656
(5-Methyl-2-propan-2-ylcyclohexyl) morpholine-4-carboxylate
CID 10015916
(5-Methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 10468204
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
CID 14709432
5-Decyl-3-methyl-1,3-oxazinan-2-one
CID 22163706
Tert-butyl 4-cyclohexyl-4-methoxy-1-piperidinecarboxylate
CID 22492894
Tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate
CID 23388701
(2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 49787366
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 58534256

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The IUPAC name of [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (CID 176856922) is [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.
What is the SMILES notation for [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The canonical SMILES for [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is CC(C)[C@@H]1CCCC[C@H]1OC(=O)N1CCCCC1.
What is the InChIKey of [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The InChIKey is YGBUMXFTGVMVDD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)13-8-4-5-9-14(13)18-15(17)16-10-6-3-7-11-16/h12-14H,3-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
[(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is sourced from PubChem (CID 176856922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).