4-cyclohex-3-en-1-yloxy-1-methylpiperidine

C12H21NO — CID 67448049

IUPAC4-cyclohex-3-en-1-yloxy-1-methylpiperidine
SMILESCN1CCC(OC2CC=CCC2)CC1
InChIInChI=1S/C12H21NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3
InChIKeyVXCABQYVFGYUNL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds2

About 4-cyclohex-3-en-1-yloxy-1-methylpiperidine

4-cyclohex-3-en-1-yloxy-1-methylpiperidine (PubChem CID 67448049) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yloxy-1-methylpiperidine.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yloxy-1-methylpiperidine
PubChem CID67448049
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-cyclohex-3-en-1-yloxy-1-methylpiperidine
SMILESCN1CCC(OC2CC=CCC2)CC1
InChIInChI=1S/C12H21NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3
InChIKeyVXCABQYVFGYUNL-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
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 4-cyclohex-3-en-1-yloxy-1-methylpiperidine?
The IUPAC name of 4-cyclohex-3-en-1-yloxy-1-methylpiperidine (CID 67448049) is 4-cyclohex-3-en-1-yloxy-1-methylpiperidine.
What is the SMILES notation for 4-cyclohex-3-en-1-yloxy-1-methylpiperidine?
The canonical SMILES for 4-cyclohex-3-en-1-yloxy-1-methylpiperidine is CN1CCC(OC2CC=CCC2)CC1.
What is the InChIKey of 4-cyclohex-3-en-1-yloxy-1-methylpiperidine?
The InChIKey is VXCABQYVFGYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 4-cyclohex-3-en-1-yloxy-1-methylpiperidine?
4-cyclohex-3-en-1-yloxy-1-methylpiperidine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yloxy-1-methylpiperidine is sourced from PubChem (CID 67448049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).