cyclopropylmethyl 2-methylpiperidine-2-carboxylate

C11H19NO2 — CID 104597704

IUPACcyclopropylmethyl 2-methylpiperidine-2-carboxylate
SMILESCC1(C(=O)OCC2CC2)CCCCN1
InChIInChI=1S/C11H19NO2/c1-11(6-2-3-7-12-11)10(13)14-8-9-4-5-9/h9,12H,2-8H2,1H3
InChIKeyJZGBXAOXFZVNDA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds3

About cyclopropylmethyl 2-methylpiperidine-2-carboxylate

cyclopropylmethyl 2-methylpiperidine-2-carboxylate (PubChem CID 104597704) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclopropylmethyl 2-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-methylpiperidine-2-carboxylate
PubChem CID104597704
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclopropylmethyl 2-methylpiperidine-2-carboxylate
SMILESCC1(C(=O)OCC2CC2)CCCCN1
InChIInChI=1S/C11H19NO2/c1-11(6-2-3-7-12-11)10(13)14-8-9-4-5-9/h9,12H,2-8H2,1H3
InChIKeyJZGBXAOXFZVNDA-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
CID 104597712
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595
4-methylpentyl 2-methylpiperidine-2-carboxylate
CID 104597728
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817
N-cyclopentyl-N-(2-hydroxyethyl)-2-methylpiperidine-2-carboxamide
CID 113430794
2-(cyclopropylmethyl)piperidine-2-carboxamide
CID 84658665
cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216614
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 107217940

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-methylpiperidine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 2-methylpiperidine-2-carboxylate (CID 104597704) is cyclopropylmethyl 2-methylpiperidine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-methylpiperidine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-methylpiperidine-2-carboxylate is CC1(C(=O)OCC2CC2)CCCCN1.
What is the InChIKey of cyclopropylmethyl 2-methylpiperidine-2-carboxylate?
The InChIKey is JZGBXAOXFZVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(6-2-3-7-12-11)10(13)14-8-9-4-5-9/h9,12H,2-8H2,1H3.
What are the key properties of cyclopropylmethyl 2-methylpiperidine-2-carboxylate?
cyclopropylmethyl 2-methylpiperidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-methylpiperidine-2-carboxylate is sourced from PubChem (CID 104597704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).