2-(cyclohex-2-en-1-yloxymethyl)piperidine

C12H21NO — CID 114620314

IUPAC2-(cyclohex-2-en-1-yloxymethyl)piperidine
SMILESC1=CC(OCC2CCCCN2)CCC1
InChIInChI=1S/C12H21NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h2,7,11-13H,1,3-6,8-10H2
InChIKeyGXAMQUYPXUGRGZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds3

About 2-(cyclohex-2-en-1-yloxymethyl)piperidine

2-(cyclohex-2-en-1-yloxymethyl)piperidine (PubChem CID 114620314) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-yloxymethyl)piperidine.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-yloxymethyl)piperidine
PubChem CID114620314
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclohex-2-en-1-yloxymethyl)piperidine
SMILESC1=CC(OCC2CCCCN2)CCC1
InChIInChI=1S/C12H21NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h2,7,11-13H,1,3-6,8-10H2
InChIKeyGXAMQUYPXUGRGZ-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-yloxymethyl)piperidine?
The IUPAC name of 2-(cyclohex-2-en-1-yloxymethyl)piperidine (CID 114620314) is 2-(cyclohex-2-en-1-yloxymethyl)piperidine.
What is the SMILES notation for 2-(cyclohex-2-en-1-yloxymethyl)piperidine?
The canonical SMILES for 2-(cyclohex-2-en-1-yloxymethyl)piperidine is C1=CC(OCC2CCCCN2)CCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-yloxymethyl)piperidine?
The InChIKey is GXAMQUYPXUGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h2,7,11-13H,1,3-6,8-10H2.
What are the key properties of 2-(cyclohex-2-en-1-yloxymethyl)piperidine?
2-(cyclohex-2-en-1-yloxymethyl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-yloxymethyl)piperidine is sourced from PubChem (CID 114620314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).