oxetan-3-yl 2-methylpiperidine-4-carboxylate

C10H17NO3 — CID 106743823

IUPACoxetan-3-yl 2-methylpiperidine-4-carboxylate
SMILESCC1CC(C(=O)OC2COC2)CCN1
InChIInChI=1S/C10H17NO3/c1-7-4-8(2-3-11-7)10(12)14-9-5-13-6-9/h7-9,11H,2-6H2,1H3
InChIKeyXWCKJKBXLZXAIR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About oxetan-3-yl 2-methylpiperidine-4-carboxylate

oxetan-3-yl 2-methylpiperidine-4-carboxylate (PubChem CID 106743823) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is oxetan-3-yl 2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 2-methylpiperidine-4-carboxylate
PubChem CID106743823
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameoxetan-3-yl 2-methylpiperidine-4-carboxylate
SMILESCC1CC(C(=O)OC2COC2)CCN1
InChIInChI=1S/C10H17NO3/c1-7-4-8(2-3-11-7)10(12)14-9-5-13-6-9/h7-9,11H,2-6H2,1H3
InChIKeyXWCKJKBXLZXAIR-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 130734937
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
3,3-dimethylbutyl 2-methylpiperidine-4-carboxylate
CID 106743813
1-(2-methylpiperidin-4-yl)propan-1-one
CID 165461766
2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
2-ethylhexyl 2-methylpiperidine-4-carboxylate
CID 106743792
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2-methylpiperidine-4-carboxylate?
The IUPAC name of oxetan-3-yl 2-methylpiperidine-4-carboxylate (CID 106743823) is oxetan-3-yl 2-methylpiperidine-4-carboxylate.
What is the SMILES notation for oxetan-3-yl 2-methylpiperidine-4-carboxylate?
The canonical SMILES for oxetan-3-yl 2-methylpiperidine-4-carboxylate is CC1CC(C(=O)OC2COC2)CCN1.
What is the InChIKey of oxetan-3-yl 2-methylpiperidine-4-carboxylate?
The InChIKey is XWCKJKBXLZXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-4-8(2-3-11-7)10(12)14-9-5-13-6-9/h7-9,11H,2-6H2,1H3.
What are the key properties of oxetan-3-yl 2-methylpiperidine-4-carboxylate?
oxetan-3-yl 2-methylpiperidine-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 106743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).