(1-methylpiperidin-3-yl) cyclohexanecarboxylate

C13H23NO2 — CID 4138791

IUPAC(1-methylpiperidin-3-yl) cyclohexanecarboxylate
SMILESCN1CCCC(OC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyUZUUCVGAOBUJHO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds2

About (1-methylpiperidin-3-yl) cyclohexanecarboxylate

(1-methylpiperidin-3-yl) cyclohexanecarboxylate (PubChem CID 4138791) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) cyclohexanecarboxylate
PubChem CID4138791
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1-methylpiperidin-3-yl) cyclohexanecarboxylate
SMILESCN1CCCC(OC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyUZUUCVGAOBUJHO-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-3-yl) cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexanecarboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-6-yl ester
CID 44318930
3-(2-Methylpiperidin-1-yl)propyl cyclohexanecarboxylate
CID 115672
Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester
CID 200342
1-Morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855471
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 58855503
1-Morpholin-4-ylpropan-2-yl 1,3,3,4,4,5,5-heptafluorocyclohexane-1-carboxylate
CID 89623845
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 89623963
Tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate
CID 135020749
Cyclohexanecarboxylic acid, (2-morpholinoethyl) ester, hydrochloride, hydrate
CID 21150297
1-Cyclohexylcyclohexanecarboxylic acid 2-piperidinoethyl ester hydrochloride
CID 138319401
1-Cyclohexylcyclohexanecarboxylic acid 2-piperidinoethyl ester
CID 138319402
1-Cyclohexylcyclohexanecarboxylic acid 2-morpholinoethyl ester
CID 138319534

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) cyclohexanecarboxylate?
The IUPAC name of (1-methylpiperidin-3-yl) cyclohexanecarboxylate (CID 4138791) is (1-methylpiperidin-3-yl) cyclohexanecarboxylate.
What is the SMILES notation for (1-methylpiperidin-3-yl) cyclohexanecarboxylate?
The canonical SMILES for (1-methylpiperidin-3-yl) cyclohexanecarboxylate is CN1CCCC(OC(=O)C2CCCCC2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) cyclohexanecarboxylate?
The InChIKey is UZUUCVGAOBUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl) cyclohexanecarboxylate?
(1-methylpiperidin-3-yl) cyclohexanecarboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) cyclohexanecarboxylate is sourced from PubChem (CID 4138791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).