2-cyclobutylethyl (2S)-piperidine-2-carboxylate

C12H21NO2 — CID 106202846

IUPAC2-cyclobutylethyl (2S)-piperidine-2-carboxylate
SMILESO=C(OCCC1CCC1)[C@@H]1CCCCN1
InChIInChI=1S/C12H21NO2/c14-12(11-6-1-2-8-13-11)15-9-7-10-4-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyQQDPJTZYQIGCIQ-NSHDSACASA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About 2-cyclobutylethyl (2S)-piperidine-2-carboxylate

2-cyclobutylethyl (2S)-piperidine-2-carboxylate (PubChem CID 106202846) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclobutylethyl (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl (2S)-piperidine-2-carboxylate
PubChem CID106202846
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclobutylethyl (2S)-piperidine-2-carboxylate
SMILESO=C(OCCC1CCC1)[C@@H]1CCCCN1
InChIInChI=1S/C12H21NO2/c14-12(11-6-1-2-8-13-11)15-9-7-10-4-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyQQDPJTZYQIGCIQ-NSHDSACASA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
propyl piperidine-2-carboxylate
CID 43248024
3-aminopropyl piperidine-2-carboxylate
CID 71376838
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
aminomethyl piperidine-2-carboxylate
CID 152636457
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
butyl (2S)-piperidine-2-carboxylate
CID 54130362
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
CID 106665968
octyl (2R)-piperidine-2-carboxylate
CID 11096763

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl (2S)-piperidine-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl (2S)-piperidine-2-carboxylate (CID 106202846) is 2-cyclobutylethyl (2S)-piperidine-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl (2S)-piperidine-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl (2S)-piperidine-2-carboxylate is O=C(OCCC1CCC1)[C@@H]1CCCCN1.
What is the InChIKey of 2-cyclobutylethyl (2S)-piperidine-2-carboxylate?
The InChIKey is QQDPJTZYQIGCIQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(11-6-1-2-8-13-11)15-9-7-10-4-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1.
What are the key properties of 2-cyclobutylethyl (2S)-piperidine-2-carboxylate?
2-cyclobutylethyl (2S)-piperidine-2-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 106202846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).