propan-2-yl (2R)-piperidine-2-carboxylate

C9H17NO2 — CID 10197895

IUPACpropan-2-yl (2R)-piperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)8-5-3-4-6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWKRKBIYOUPOUIN-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About propan-2-yl (2R)-piperidine-2-carboxylate

propan-2-yl (2R)-piperidine-2-carboxylate (PubChem CID 10197895) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-piperidine-2-carboxylate
PubChem CID10197895
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl (2R)-piperidine-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)8-5-3-4-6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWKRKBIYOUPOUIN-MRVPVSSYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yl piperidine-2-carboxylate
CID 102982469
pentan-2-yl azepane-2-carboxylate
CID 102982576
(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate
CID 70180771
1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
CID 59049625
2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid
CID 174964673
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-piperidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-piperidine-2-carboxylate (CID 10197895) is propan-2-yl (2R)-piperidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-piperidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-piperidine-2-carboxylate is CC(C)OC(=O)[C@H]1CCCCN1.
What is the InChIKey of propan-2-yl (2R)-piperidine-2-carboxylate?
The InChIKey is WKRKBIYOUPOUIN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-9(11)8-5-3-4-6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of propan-2-yl (2R)-piperidine-2-carboxylate?
propan-2-yl (2R)-piperidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 10197895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).