tert-butyl 2-methoxypiperidine-1-carboxylate

C11H21NO3 — CID 11424460

IUPACtert-butyl 2-methoxypiperidine-1-carboxylate
SMILESCOC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h9H,5-8H2,1-4H3
InChIKeyWZDUMISBAHEPLN-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl 2-methoxypiperidine-1-carboxylate

tert-butyl 2-methoxypiperidine-1-carboxylate (PubChem CID 11424460) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxypiperidine-1-carboxylate
PubChem CID11424460
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-methoxypiperidine-1-carboxylate
SMILESCOC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h9H,5-8H2,1-4H3
InChIKeyWZDUMISBAHEPLN-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
ditert-butyl (3R)-2-methoxyazepane-1,3-dicarboxylate
CID 171364155
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methoxypiperidine-1-carboxylate (CID 11424460) is tert-butyl 2-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methoxypiperidine-1-carboxylate is COC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxypiperidine-1-carboxylate?
The InChIKey is WZDUMISBAHEPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-8-6-5-7-9(12)14-4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-methoxypiperidine-1-carboxylate?
tert-butyl 2-methoxypiperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 11424460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).