methyl 4-cyclobutylpiperidine-2-carboxylate

C11H19NO2 — CID 117258404

IUPACmethyl 4-cyclobutylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCC2)CCN1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-7-9(5-6-12-10)8-3-2-4-8/h8-10,12H,2-7H2,1H3
InChIKeySBYSGDQRHQKATR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds2

About methyl 4-cyclobutylpiperidine-2-carboxylate

methyl 4-cyclobutylpiperidine-2-carboxylate (PubChem CID 117258404) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 4-cyclobutylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclobutylpiperidine-2-carboxylate
PubChem CID117258404
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 4-cyclobutylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(C2CCC2)CCN1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-7-9(5-6-12-10)8-3-2-4-8/h8-10,12H,2-7H2,1H3
InChIKeySBYSGDQRHQKATR-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
methyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 161432755
4-cycloheptyl-N,N-dimethylpiperidine-2-carboxamide
CID 106781028
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl (2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 89197432
methyl 4-(diethylamino)piperidine-2-carboxylate
CID 112710374
methyl (2S,4R)-4-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 168976255
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate
CID 170366555
methyl (2S)-aziridine-2-carboxylate
CID 10329257

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclobutylpiperidine-2-carboxylate?
The IUPAC name of methyl 4-cyclobutylpiperidine-2-carboxylate (CID 117258404) is methyl 4-cyclobutylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclobutylpiperidine-2-carboxylate?
The canonical SMILES for methyl 4-cyclobutylpiperidine-2-carboxylate is COC(=O)C1CC(C2CCC2)CCN1.
What is the InChIKey of methyl 4-cyclobutylpiperidine-2-carboxylate?
The InChIKey is SBYSGDQRHQKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(13)10-7-9(5-6-12-10)8-3-2-4-8/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 4-cyclobutylpiperidine-2-carboxylate?
methyl 4-cyclobutylpiperidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclobutylpiperidine-2-carboxylate is sourced from PubChem (CID 117258404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).