tert-butyl (2R)-2-ethylpiperidine-1-carboxylate

C12H23NO2 — CID 45095102

IUPACtert-butyl (2R)-2-ethylpiperidine-1-carboxylate
SMILESCC[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyTZODONUATMTJPI-SNVBAGLBSA-N
MW213.32 g/mol
LogP3.19
Rot. Bonds1

About tert-butyl (2R)-2-ethylpiperidine-1-carboxylate

tert-butyl (2R)-2-ethylpiperidine-1-carboxylate (PubChem CID 45095102) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethylpiperidine-1-carboxylate
PubChem CID45095102
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl (2R)-2-ethylpiperidine-1-carboxylate
SMILESCC[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyTZODONUATMTJPI-SNVBAGLBSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl (2R)-2-ethylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethylpiperidine-1-carboxylate (CID 45095102) is tert-butyl (2R)-2-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethylpiperidine-1-carboxylate is CC[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethylpiperidine-1-carboxylate?
The InChIKey is TZODONUATMTJPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethylpiperidine-1-carboxylate?
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 45095102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).