(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate

C12H23NO3 — CID 106665968

IUPAC(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
SMILESCOC(C)(C)CCOC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H23NO3/c1-12(2,15-3)7-9-16-11(14)10-6-4-5-8-13-10/h10,13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyIGZPSUDXFBEGKO-JTQLQIEISA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds5

About (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate

(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate (PubChem CID 106665968) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
PubChem CID106665968
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
SMILESCOC(C)(C)CCOC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H23NO3/c1-12(2,15-3)7-9-16-11(14)10-6-4-5-8-13-10/h10,13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyIGZPSUDXFBEGKO-JTQLQIEISA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl piperidine-2-carboxylate
CID 43248024
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
butyl (2S)-piperidine-2-carboxylate
CID 54130362
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
CID 103939543
3-aminopropyl piperidine-2-carboxylate
CID 71376838
octyl (2R)-piperidine-2-carboxylate
CID 11096763
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
aminomethyl piperidine-2-carboxylate
CID 152636457
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate?
The IUPAC name of (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate (CID 106665968) is (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate?
The canonical SMILES for (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate is COC(C)(C)CCOC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate?
The InChIKey is IGZPSUDXFBEGKO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,15-3)7-9-16-11(14)10-6-4-5-8-13-10/h10,13H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate?
(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 106665968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).