(2-methylcyclohexyl) piperidine-4-carboxylate

C13H23NO2 — CID 61277227

IUPAC(2-methylcyclohexyl) piperidine-4-carboxylate
SMILESCC1CCCCC1OC(=O)C1CCNCC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-5-12(10)16-13(15)11-6-8-14-9-7-11/h10-12,14H,2-9H2,1H3
InChIKeyAHZCBMROQPFSMA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About (2-methylcyclohexyl) piperidine-4-carboxylate

(2-methylcyclohexyl) piperidine-4-carboxylate (PubChem CID 61277227) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2-methylcyclohexyl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) piperidine-4-carboxylate
PubChem CID61277227
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2-methylcyclohexyl) piperidine-4-carboxylate
SMILESCC1CCCCC1OC(=O)C1CCNCC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-5-12(10)16-13(15)11-6-8-14-9-7-11/h10-12,14H,2-9H2,1H3
InChIKeyAHZCBMROQPFSMA-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) piperidine-4-carboxylate?
The IUPAC name of (2-methylcyclohexyl) piperidine-4-carboxylate (CID 61277227) is (2-methylcyclohexyl) piperidine-4-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) piperidine-4-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) piperidine-4-carboxylate is CC1CCCCC1OC(=O)C1CCNCC1.
What is the InChIKey of (2-methylcyclohexyl) piperidine-4-carboxylate?
The InChIKey is AHZCBMROQPFSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-4-2-3-5-12(10)16-13(15)11-6-8-14-9-7-11/h10-12,14H,2-9H2,1H3.
What are the key properties of (2-methylcyclohexyl) piperidine-4-carboxylate?
(2-methylcyclohexyl) piperidine-4-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) piperidine-4-carboxylate is sourced from PubChem (CID 61277227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).