3-methylbutan-2-yl piperidine-1-carboxylate

C11H21NO2 — CID 127537756

IUPAC3-methylbutan-2-yl piperidine-1-carboxylate
SMILESCC(C)C(C)OC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(3)14-11(13)12-7-5-4-6-8-12/h9-10H,4-8H2,1-3H3
InChIKeyJGMULBKVPRQDIK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds2

About 3-methylbutan-2-yl piperidine-1-carboxylate

3-methylbutan-2-yl piperidine-1-carboxylate (PubChem CID 127537756) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methylbutan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name3-methylbutan-2-yl piperidine-1-carboxylate
PubChem CID127537756
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methylbutan-2-yl piperidine-1-carboxylate
SMILESCC(C)C(C)OC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(3)14-11(13)12-7-5-4-6-8-12/h9-10H,4-8H2,1-3H3
InChIKeyJGMULBKVPRQDIK-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
CID 169006679
ethyl azacycloundecane-1-carboxylate
CID 67670496
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
propanoyl piperidine-1-carboxylate
CID 142786690
piperidine-1-carboperoxoic acid
CID 18434275
3-methylbutan-2-yl (2S,6R)-2,6-dimethylpiperidine-1-carboxylate;propane
CID 161221697
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl piperidine-1-carboxylate?
The IUPAC name of 3-methylbutan-2-yl piperidine-1-carboxylate (CID 127537756) is 3-methylbutan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 3-methylbutan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 3-methylbutan-2-yl piperidine-1-carboxylate is CC(C)C(C)OC(=O)N1CCCCC1.
What is the InChIKey of 3-methylbutan-2-yl piperidine-1-carboxylate?
The InChIKey is JGMULBKVPRQDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)10(3)14-11(13)12-7-5-4-6-8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methylbutan-2-yl piperidine-1-carboxylate?
3-methylbutan-2-yl piperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 127537756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).