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

C11H19NO3 — CID 115103593

IUPACmethyl 2-(oxolan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCO2)CCCCN1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(6-2-3-7-12-11)9-5-4-8-15-9/h9,12H,2-8H2,1H3
InChIKeyAJFWUOXKCKEEFO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds2

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

methyl 2-(oxolan-2-yl)piperidine-2-carboxylate (PubChem CID 115103593) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(oxolan-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxolan-2-yl)piperidine-2-carboxylate
PubChem CID115103593
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(oxolan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C2CCCO2)CCCCN1
InChIInChI=1S/C11H19NO3/c1-14-10(13)11(6-2-3-7-12-11)9-5-4-8-15-9/h9,12H,2-8H2,1H3
InChIKeyAJFWUOXKCKEEFO-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(oxan-2-yl)piperidine-2-carboxylate
CID 115103614
methyl 2-azabicyclo[3.2.0]heptane-1-carboxylate;hydrochloride
CID 165496032
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
[2-(oxolan-2-yl)piperidin-2-yl]methanol
CID 115103585
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 94823655
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232
methyl 4-methyl-6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920069
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
2-(1-methylcyclohexyl)oxolane
CID 23594551

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 2-(oxolan-2-yl)piperidine-2-carboxylate (CID 115103593) is methyl 2-(oxolan-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 2-(oxolan-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 2-(oxolan-2-yl)piperidine-2-carboxylate is COC(=O)C1(C2CCCO2)CCCCN1.
What is the InChIKey of methyl 2-(oxolan-2-yl)piperidine-2-carboxylate?
The InChIKey is AJFWUOXKCKEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)11(6-2-3-7-12-11)9-5-4-8-15-9/h9,12H,2-8H2,1H3.
What are the key properties of methyl 2-(oxolan-2-yl)piperidine-2-carboxylate?
methyl 2-(oxolan-2-yl)piperidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115103593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).