tert-butyl 2,6-dimethylpiperidine-1-carboxylate

C12H23NO2 — CID 14684602

IUPACtert-butyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXFHDOSGLKQJYLP-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.18
Rot. Bonds

About tert-butyl 2,6-dimethylpiperidine-1-carboxylate

tert-butyl 2,6-dimethylpiperidine-1-carboxylate (PubChem CID 14684602) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethylpiperidine-1-carboxylate
PubChem CID14684602
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXFHDOSGLKQJYLP-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2,6-dimethylpiperidine-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

Related Compounds

N-(tert-butoxycarbonyl)piperidine
CID 7010304
Tert-butyl 4-iodopiperidine-1-carboxylate
CID 10892302
(S)-(+)-N-(Boc)-2-methylpiperidine
CID 11019870
tert-Butyl 3-iodopiperidine-1-carboxylate
CID 21580769
tert-butyl N-cyclohexyl-N-methylcarbamate
CID 21797827
tert-butyl (2S)-2-acetylpiperidine-1-carboxylate
CID 11206921
Tert-butyl 2-cyanopiperidine-1-carboxylate
CID 2756784
tert-Butyl 2-acetylpiperidine-1-carboxylate
CID 11790941
tert-Butyl 2-ethynylpiperidine-1-carboxylate
CID 15867081
tert-Butyl (2R)-2-methyl-4-oxopiperidine-1-carboxylate
CID 25110958
tert-Butyl (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
CID 71310640
Tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
CID 2756421

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethylpiperidine-1-carboxylate (CID 14684602) is tert-butyl 2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethylpiperidine-1-carboxylate is CC1CCCC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is XFHDOSGLKQJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2,6-dimethylpiperidine-1-carboxylate?
tert-butyl 2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 14684602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).