ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate

C12H21NO4 — CID 54403674

IUPACethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CCO)CCN1C(C)=O
InChIInChI=1S/C12H21NO4/c1-3-17-12(16)11-8-10(5-7-14)4-6-13(11)9(2)15/h10-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyVPEIOUFIKXJMAX-MNOVXSKESA-N
MW243.30 g/mol
LogP0.56
Rot. Bonds4

About ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate

ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate (PubChem CID 54403674) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate
PubChem CID54403674
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](CCO)CCN1C(C)=O
InChIInChI=1S/C12H21NO4/c1-3-17-12(16)11-8-10(5-7-14)4-6-13(11)9(2)15/h10-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyVPEIOUFIKXJMAX-MNOVXSKESA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,4S)-1-acetyl-4-sulfanylpyrrolidine-2-carboxylate
CID 24952897
ethyl 4-acetylthiomorpholine-3-carboxylate
CID 60718017
diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 86743786
4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
CID 151002782
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 131844507
ethyl (1S,2R,4S)-2-ethyl-4-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 86678539
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
ethyl 4-hydroxy-4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
CID 106498884
ethyl 2-(2-bromoacetyl)-4-ethylpiperidine-1-carboxylate
CID 114432080
ethyl 2-amino-4-pentylpiperidine-1-carboxylate
CID 70618128
CID 59417753
CID 59417753

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate (CID 54403674) is ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](CCO)CCN1C(C)=O.
What is the InChIKey of ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate?
The InChIKey is VPEIOUFIKXJMAX-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-12(16)11-8-10(5-7-14)4-6-13(11)9(2)15/h10-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate?
ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate is sourced from PubChem (CID 54403674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).