(1-methylcyclohexyl) piperidine-1-carboxylate

C13H23NO2 — CID 59148774

IUPAC(1-methylcyclohexyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14/h2-11H2,1H3
InChIKeyNLOXTULPOMVXND-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.33
Rot. Bonds1

About (1-methylcyclohexyl) piperidine-1-carboxylate

(1-methylcyclohexyl) piperidine-1-carboxylate (PubChem CID 59148774) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1-methylcyclohexyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclohexyl) piperidine-1-carboxylate
PubChem CID59148774
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1-methylcyclohexyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14/h2-11H2,1H3
InChIKeyNLOXTULPOMVXND-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclohexyl) piperidine-1-carboxylate (CID 59148774) is (1-methylcyclohexyl) piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclohexyl) piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclohexyl) piperidine-1-carboxylate is CC1(OC(=O)N2CCCCC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) piperidine-1-carboxylate?
The InChIKey is NLOXTULPOMVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14/h2-11H2,1H3.
What are the key properties of (1-methylcyclohexyl) piperidine-1-carboxylate?
(1-methylcyclohexyl) piperidine-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) piperidine-1-carboxylate is sourced from PubChem (CID 59148774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).