1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine

C16H27NO — CID 156817438

IUPAC1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine
SMILESC=C(/C=C\C(=C)OCC)CCN1CCC(C)CC1
InChIInChI=1S/C16H27NO/c1-5-18-16(4)7-6-14(2)8-11-17-12-9-15(3)10-13-17/h6-7,15H,2,4-5,8-13H2,1,3H3/b7-6-
InChIKeyFQYWAHHKNXSVLY-SREVYHEPSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

About 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine

1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine (PubChem CID 156817438) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine
PubChem CID156817438
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine
SMILESC=C(/C=C\C(=C)OCC)CCN1CCC(C)CC1
InChIInChI=1S/C16H27NO/c1-5-18-16(4)7-6-14(2)8-11-17-12-9-15(3)10-13-17/h6-7,15H,2,4-5,8-13H2,1,3H3/b7-6-
InChIKeyFQYWAHHKNXSVLY-SREVYHEPSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine
CID 142412235
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
CID 66337111
fluoro 3-(4-methylpiperidin-1-yl)propanoate
CID 142440797
ethyl 2-amino-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55248054
1-but-3-enyl-4-methylpiperidine
CID 88972276
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate
CID 2384875

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine?
The IUPAC name of 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine (CID 156817438) is 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine is C=C(/C=C\C(=C)OCC)CCN1CCC(C)CC1.
What is the InChIKey of 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine?
The InChIKey is FQYWAHHKNXSVLY-SREVYHEPSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-18-16(4)7-6-14(2)8-11-17-12-9-15(3)10-13-17/h6-7,15H,2,4-5,8-13H2,1,3H3/b7-6-.
What are the key properties of 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine?
1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-6-ethoxy-3-methylidenehepta-4,6-dienyl]-4-methylpiperidine is sourced from PubChem (CID 156817438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).