1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine

C13H25NO — CID 121340416

IUPAC1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine
SMILESCOCC(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12-15-3)8-7-11-14-9-5-4-6-10-14/h7,11H,4-6,8-10,12H2,1-3H3/b11-7+
InChIKeyWCAMOCHCAGEOFO-YRNVUSSQSA-N
MW211.35 g/mol
LogP3.05
Rot. Bonds5

About 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine

1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine (PubChem CID 121340416) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine
PubChem CID121340416
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine
SMILESCOCC(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,12-15-3)8-7-11-14-9-5-4-6-10-14/h7,11H,4-6,8-10,12H2,1-3H3/b11-7+
InChIKeyWCAMOCHCAGEOFO-YRNVUSSQSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lanthanum;4-(methoxymethyl)-4-prop-2-enylpiperidin-1-ide
CID 59312076
1-(4,4-Dimethyl-1-pentenyl)piperidine
CID 86675037
1-[(E)-4,4-dimethylpent-1-enyl]piperidine
CID 89286659
1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine
CID 163798220
1-(5-Methoxypent-1-enyl)piperidine
CID 5146227
5-Methoxy-1-piperidino-1-pentene
CID 6392614
4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine
CID 143071626
4-Ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine
CID 158092677

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine?
The IUPAC name of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine (CID 121340416) is 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine is COCC(C)(C)C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine?
The InChIKey is WCAMOCHCAGEOFO-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,12-15-3)8-7-11-14-9-5-4-6-10-14/h7,11H,4-6,8-10,12H2,1-3H3/b11-7+.
What are the key properties of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine?
1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]piperidine is sourced from PubChem (CID 121340416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).