cyclopentylmethyl 4-methylpiperidine-2-carboxylate

C13H23NO2 — CID 114425097

IUPACcyclopentylmethyl 4-methylpiperidine-2-carboxylate
SMILESCC1CCNC(C(=O)OCC2CCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-6-7-14-12(8-10)13(15)16-9-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyAGTDBQPGTLXLLG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds3

About cyclopentylmethyl 4-methylpiperidine-2-carboxylate

cyclopentylmethyl 4-methylpiperidine-2-carboxylate (PubChem CID 114425097) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclopentylmethyl 4-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-methylpiperidine-2-carboxylate
PubChem CID114425097
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclopentylmethyl 4-methylpiperidine-2-carboxylate
SMILESCC1CCNC(C(=O)OCC2CCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-6-7-14-12(8-10)13(15)16-9-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyAGTDBQPGTLXLLG-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
butan-2-yl 4-methylpiperidine-2-carboxylate
CID 114425052
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
CID 61151115
oxan-4-ylmethyl pyrrolidine-2-carboxylate
CID 62383642
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
ethyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423535
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(2-ethylcyclohexyl)-4-methylpiperidine-2-carboxamide
CID 114423051

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-methylpiperidine-2-carboxylate?
The IUPAC name of cyclopentylmethyl 4-methylpiperidine-2-carboxylate (CID 114425097) is cyclopentylmethyl 4-methylpiperidine-2-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-methylpiperidine-2-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-methylpiperidine-2-carboxylate is CC1CCNC(C(=O)OCC2CCCC2)C1.
What is the InChIKey of cyclopentylmethyl 4-methylpiperidine-2-carboxylate?
The InChIKey is AGTDBQPGTLXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-6-7-14-12(8-10)13(15)16-9-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3.
What are the key properties of cyclopentylmethyl 4-methylpiperidine-2-carboxylate?
cyclopentylmethyl 4-methylpiperidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-methylpiperidine-2-carboxylate is sourced from PubChem (CID 114425097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).