tert-butyl 2-methylpiperidine-1-carboxylate;ethane

C17H39NO2 — CID 153328823

IUPACtert-butyl 2-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC.CC.CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2.3C2H6/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;3*1-2/h9H,5-8H2,1-4H3;3*1-2H3
InChIKeyXCBYUZWOJWDWOR-UHFFFAOYSA-N
MW289.50 g/mol
LogP5.87
Rot. Bonds

About tert-butyl 2-methylpiperidine-1-carboxylate;ethane

tert-butyl 2-methylpiperidine-1-carboxylate;ethane (PubChem CID 153328823) has the molecular formula C17H39NO2 and a molecular weight of 289.50 g/mol. Its IUPAC name is tert-butyl 2-methylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-methylpiperidine-1-carboxylate;ethane
PubChem CID153328823
Molecular FormulaC17H39NO2
Molecular Weight289.50 g/mol
Exact Mass289.30
IUPAC Nametert-butyl 2-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC.CC.CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2.3C2H6/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;3*1-2/h9H,5-8H2,1-4H3;3*1-2H3
InChIKeyXCBYUZWOJWDWOR-UHFFFAOYSA-N
XLogP5.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-methylpiperidine-1-carboxylate;ethane 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

tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate;ethane (CID 153328823) is tert-butyl 2-methylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-methylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-methylpiperidine-1-carboxylate;ethane is CC.CC.CC.CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methylpiperidine-1-carboxylate;ethane?
The InChIKey is XCBYUZWOJWDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.3C2H6/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;3*1-2/h9H,5-8H2,1-4H3;3*1-2H3.
What are the key properties of tert-butyl 2-methylpiperidine-1-carboxylate;ethane?
tert-butyl 2-methylpiperidine-1-carboxylate;ethane has a molecular weight of 289.50 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 153328823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).