methyl 2-(oxan-2-yl)piperidine-2-carboxylate

C12H21NO3 — CID 115103614

IUPACmethyl 2-(oxan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCCO2)CCCCN1
InChIInChI=1S/C12H21NO3/c1-15-11(14)12(7-3-4-8-13-12)10-6-2-5-9-16-10/h10,13H,2-9H2,1H3
InChIKeyZEOPBAGHVNIVPL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(oxan-2-yl)piperidine-2-carboxylate

methyl 2-(oxan-2-yl)piperidine-2-carboxylate (PubChem CID 115103614) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-(oxan-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-2-yl)piperidine-2-carboxylate
PubChem CID115103614
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-(oxan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCCO2)CCCCN1
InChIInChI=1S/C12H21NO3/c1-15-11(14)12(7-3-4-8-13-12)10-6-2-5-9-16-10/h10,13H,2-9H2,1H3
InChIKeyZEOPBAGHVNIVPL-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(oxolan-2-yl)piperidine-2-carboxylate
CID 115103593
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
methyl 2-azabicyclo[3.2.0]heptane-1-carboxylate;hydrochloride
CID 165496032
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
methyl 4-methyl-6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920069
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
[2-(oxolan-2-yl)piperidin-2-yl]methanol
CID 115103585
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232
1-(oxan-2-yl)cyclopropan-1-ol
CID 54404305
ethyl (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
N,2-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 113368607

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 2-(oxan-2-yl)piperidine-2-carboxylate (CID 115103614) is methyl 2-(oxan-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 2-(oxan-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 2-(oxan-2-yl)piperidine-2-carboxylate is COC(=O)C1(C2CCCCO2)CCCCN1.
What is the InChIKey of methyl 2-(oxan-2-yl)piperidine-2-carboxylate?
The InChIKey is ZEOPBAGHVNIVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-11(14)12(7-3-4-8-13-12)10-6-2-5-9-16-10/h10,13H,2-9H2,1H3.
What are the key properties of methyl 2-(oxan-2-yl)piperidine-2-carboxylate?
methyl 2-(oxan-2-yl)piperidine-2-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115103614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).