tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate

C14H27NO3 — CID 16723836

IUPACtert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC[C@]1(CCO)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-14(8-10-16)7-6-9-15(11-14)12(17)18-13(2,3)4/h16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyNADNTWRNQROOAU-CQSZACIVSA-N
MW257.37 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 16723836) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID16723836
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC[C@]1(CCO)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-14(8-10-16)7-6-9-15(11-14)12(17)18-13(2,3)4/h16H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyNADNTWRNQROOAU-CQSZACIVSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (3S)-3-(4-chlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 70883065
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate
CID 165471269
tert-butyl 3-ethyl-3-piperidin-1-ylpiperidine-1-carboxylate
CID 165471272
tert-butyl 3-(cyanomethyl)-3-ethylpyrrolidine-1-carboxylate
CID 130137418
tert-butyl 3-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]piperidine-1-carboxylate
CID 104956178

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate (CID 16723836) is tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate is CC[C@]1(CCO)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is NADNTWRNQROOAU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-14(8-10-16)7-6-9-15(11-14)12(17)18-13(2,3)4/h16H,5-11H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 16723836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).