3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine

C13H23NO — CID 173449704

IUPAC3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine
SMILESCOC1CNCC(CC2CC=CCC2)C1
InChIInChI=1S/C13H23NO/c1-15-13-8-12(9-14-10-13)7-11-5-3-2-4-6-11/h2-3,11-14H,4-10H2,1H3
InChIKeyYWPWWGXSOCBRRJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds3

About 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine

3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine (PubChem CID 173449704) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine
PubChem CID173449704
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine
SMILESCOC1CNCC(CC2CC=CCC2)C1
InChIInChI=1S/C13H23NO/c1-15-13-8-12(9-14-10-13)7-11-5-3-2-4-6-11/h2-3,11-14H,4-10H2,1H3
InChIKeyYWPWWGXSOCBRRJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
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 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine (CID 173449704) is 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine is COC1CNCC(CC2CC=CCC2)C1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine?
The InChIKey is YWPWWGXSOCBRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-15-13-8-12(9-14-10-13)7-11-5-3-2-4-6-11/h2-3,11-14H,4-10H2,1H3.
What are the key properties of 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine?
3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine has a molecular weight of 209.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine is sourced from PubChem (CID 173449704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).