1-(6,6-dimethoxyhex-3-en-2-yl)piperidine

C13H25NO2 — CID 57162000

IUPAC1-(6,6-dimethoxyhex-3-en-2-yl)piperidine
SMILESCOC(CC=CC(C)N1CCCCC1)OC
InChIInChI=1S/C13H25NO2/c1-12(14-10-5-4-6-11-14)8-7-9-13(15-2)16-3/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyFXZJOXKONRSQDO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.43
Rot. Bonds6

About 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine

1-(6,6-dimethoxyhex-3-en-2-yl)piperidine (PubChem CID 57162000) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(6,6-dimethoxyhex-3-en-2-yl)piperidine
PubChem CID57162000
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(6,6-dimethoxyhex-3-en-2-yl)piperidine
SMILESCOC(CC=CC(C)N1CCCCC1)OC
InChIInChI=1S/C13H25NO2/c1-12(14-10-5-4-6-11-14)8-7-9-13(15-2)16-3/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyFXZJOXKONRSQDO-UHFFFAOYSA-N
XLogP2.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine?
The IUPAC name of 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine (CID 57162000) is 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine.
What is the SMILES notation for 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine?
The canonical SMILES for 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine is COC(CC=CC(C)N1CCCCC1)OC.
What is the InChIKey of 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine?
The InChIKey is FXZJOXKONRSQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(14-10-5-4-6-11-14)8-7-9-13(15-2)16-3/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine?
1-(6,6-dimethoxyhex-3-en-2-yl)piperidine has a molecular weight of 227.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethoxyhex-3-en-2-yl)piperidine is sourced from PubChem (CID 57162000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).