methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate

C14H25NO3 — CID 116523405

IUPACmethyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C14H25NO3/c1-14(2)7-6-12(18-14)10-15-8-4-5-11(9-15)13(16)17-3/h11-12H,4-10H2,1-3H3
InChIKeyZVRUKMHYRDLTNN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds3

About methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate

methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 116523405) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate
PubChem CID116523405
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C14H25NO3/c1-14(2)7-6-12(18-14)10-15-8-4-5-11(9-15)13(16)17-3/h11-12H,4-10H2,1-3H3
InChIKeyZVRUKMHYRDLTNN-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxylate
CID 115537460
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate (CID 116523405) is methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate is COC(=O)C1CCCN(CC2CCC(C)(C)O2)C1.
What is the InChIKey of methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is ZVRUKMHYRDLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)7-6-12(18-14)10-15-8-4-5-11(9-15)13(16)17-3/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate?
methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 116523405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).