[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate

C12H23NO3 — CID 40571966

IUPAC[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyQLHULAHOXSSASE-MNOVXSKESA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds4

About [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate

[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 40571966) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID40571966
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyQLHULAHOXSSASE-MNOVXSKESA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 40571966) is [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate is CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO.
What is the InChIKey of [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is QLHULAHOXSSASE-MNOVXSKESA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate?
[(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 40571966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).