methyl 2-butan-2-ylpiperidine-1-carboxylate

C11H21NO2 — CID 14114665

IUPACmethyl 2-butan-2-ylpiperidine-1-carboxylate
SMILESCCC(C)C1CCCCN1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyVMTZMIPFKGGXBR-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds2

About methyl 2-butan-2-ylpiperidine-1-carboxylate

methyl 2-butan-2-ylpiperidine-1-carboxylate (PubChem CID 14114665) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-butan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-butan-2-ylpiperidine-1-carboxylate
PubChem CID14114665
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-butan-2-ylpiperidine-1-carboxylate
SMILESCCC(C)C1CCCCN1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyVMTZMIPFKGGXBR-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

Analyze methyl 2-butan-2-ylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-butan-2-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 2-butan-2-ylpiperidine-1-carboxylate (CID 14114665) is methyl 2-butan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 2-butan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 2-butan-2-ylpiperidine-1-carboxylate is CCC(C)C1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-butan-2-ylpiperidine-1-carboxylate?
The InChIKey is VMTZMIPFKGGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-butan-2-ylpiperidine-1-carboxylate?
methyl 2-butan-2-ylpiperidine-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 methyl 2-butan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 14114665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).