methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate

C10H19NO3 — CID 10976525

IUPACmethyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C10H19NO3/c1-8(12)7-9-5-3-4-6-11(9)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyVKCZICBHETTWOV-BDAKNGLRSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds2

About methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate

methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 10976525) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
PubChem CID10976525
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C10H19NO3/c1-8(12)7-9-5-3-4-6-11(9)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyVKCZICBHETTWOV-BDAKNGLRSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Icaridin
CID 125098
endo-8-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane
CID 58414652
Tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 5103438
1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
(S)-1-N-Boc-piperidine-2-ethanol
CID 1514243
tert-Butyl 3-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylate
CID 21187725
1,1-Dimethylethyl (2R)-2-(2-hydroxyethyl)-1-piperidinecarboxylate
CID 1514244
rac-tert-butyl (2R,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 10443811
rac-tert-butyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653314
(2S,4S)-N-Boc-2-methyl-4-piperidinol
CID 45097440
(2S,4R)-1-Boc-2-methyl-4-hydroxypiperidine
CID 45097441

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate (CID 10976525) is methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1C[C@@H](C)O.
What is the InChIKey of methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is VKCZICBHETTWOV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)7-9-5-3-4-6-11(9)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate?
methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 10976525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).