3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol

C13H25NO2 — CID 20696732

IUPAC3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
SMILESC/C=C/CCC(OC)C1CN(C)CCC1O
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15/h4-5,11-13,15H,6-10H2,1-3H3/b5-4+
InChIKeyJGAYNLPUYQSYTI-SNAWJCMRSA-N
MW227.35 g/mol
LogP1.67
Rot. Bonds5

About 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol

3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol (PubChem CID 20696732) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
PubChem CID20696732
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
SMILESC/C=C/CCC(OC)C1CN(C)CCC1O
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15/h4-5,11-13,15H,6-10H2,1-3H3/b5-4+
InChIKeyJGAYNLPUYQSYTI-SNAWJCMRSA-N
XLogP1.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
3,7-Dimethyl-1-piperidin-1-yloct-6-ene-1,3-diol
CID 19880290
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696714
actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696725
actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696727
actinium;3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696731
actinium;3-[(E)-5-iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 20696736
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179
actinium;3-[(E)-1-hydroxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 59971182
actinium;3-[(E)-1-hydroxy-5-(123I)iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 59971184
1-(1-Methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol
CID 70001093
1-(1-Methyl-4-propoxypiperidin-3-yl)-5-tributylstannylpent-4-en-1-ol
CID 70001186

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol (CID 20696732) is 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol is C/C=C/CCC(OC)C1CN(C)CCC1O.
What is the InChIKey of 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol?
The InChIKey is JGAYNLPUYQSYTI-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-6-7-13(16-3)11-10-14(2)9-8-12(11)15/h4-5,11-13,15H,6-10H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol?
3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol has a molecular weight of 227.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-methoxyhex-4-enyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 20696732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).