methyl 1-(oxetan-3-yl)piperidine-2-carboxylate

C10H17NO3 — CID 155943427

IUPACmethyl 1-(oxetan-3-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1COC1
InChIInChI=1S/C10H17NO3/c1-13-10(12)9-4-2-3-5-11(9)8-6-14-7-8/h8-9H,2-7H2,1H3
InChIKeyRMOYHEFXLUTFKD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.41
Rot. Bonds2

About methyl 1-(oxetan-3-yl)piperidine-2-carboxylate

methyl 1-(oxetan-3-yl)piperidine-2-carboxylate (PubChem CID 155943427) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 1-(oxetan-3-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxetan-3-yl)piperidine-2-carboxylate
PubChem CID155943427
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 1-(oxetan-3-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1COC1
InChIInChI=1S/C10H17NO3/c1-13-10(12)9-4-2-3-5-11(9)8-6-14-7-8/h8-9H,2-7H2,1H3
InChIKeyRMOYHEFXLUTFKD-UHFFFAOYSA-N
XLogP0.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxetan-3-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(oxetan-3-yl)piperidine-2-carboxylate (CID 155943427) is methyl 1-(oxetan-3-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(oxetan-3-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(oxetan-3-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C1COC1.
What is the InChIKey of methyl 1-(oxetan-3-yl)piperidine-2-carboxylate?
The InChIKey is RMOYHEFXLUTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-10(12)9-4-2-3-5-11(9)8-6-14-7-8/h8-9H,2-7H2,1H3.
What are the key properties of methyl 1-(oxetan-3-yl)piperidine-2-carboxylate?
methyl 1-(oxetan-3-yl)piperidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxetan-3-yl)piperidine-2-carboxylate is sourced from PubChem (CID 155943427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).