3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate

C12H23NO2 — CID 107071163

IUPAC3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
SMILESCC(C)C(C)OC(=O)C1NCCCC1C
InChIInChI=1S/C12H23NO2/c1-8(2)10(4)15-12(14)11-9(3)6-5-7-13-11/h8-11,13H,5-7H2,1-4H3
InChIKeyKUNGFEKWDWKKAI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds3

About 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate

3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate (PubChem CID 107071163) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
PubChem CID107071163
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
SMILESCC(C)C(C)OC(=O)C1NCCCC1C
InChIInChI=1S/C12H23NO2/c1-8(2)10(4)15-12(14)11-9(3)6-5-7-13-11/h8-11,13H,5-7H2,1-4H3
InChIKeyKUNGFEKWDWKKAI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
CID 65049268
N,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidine-2-carboxamide
CID 81056495
3-methylbutan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 102895063
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
CID 103488963
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
CID 107071125
N-(1-cyclopropylethyl)-N,3-dimethylpiperidine-2-carboxamide
CID 107067226
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate?
The IUPAC name of 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate (CID 107071163) is 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate.
What is the SMILES notation for 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate?
The canonical SMILES for 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate is CC(C)C(C)OC(=O)C1NCCCC1C.
What is the InChIKey of 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate?
The InChIKey is KUNGFEKWDWKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)10(4)15-12(14)11-9(3)6-5-7-13-11/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate?
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate is sourced from PubChem (CID 107071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).