4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine

C15H25NO — CID 143457436

IUPAC4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
SMILESC=C(/C=C\C(=C/C)OC1CCNCC1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-14(7-6-13(4)12(2)3)17-15-8-10-16-11-9-15/h5-7,12,15-16H,4,8-11H2,1-3H3/b7-6-,14-5+
InChIKeyHLBLDGCOVBFKDD-WFRORPSUSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds5

About 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine

4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine (PubChem CID 143457436) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
PubChem CID143457436
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
SMILESC=C(/C=C\C(=C/C)OC1CCNCC1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-14(7-6-13(4)12(2)3)17-15-8-10-16-11-9-15/h5-7,12,15-16H,4,8-11H2,1-3H3/b7-6-,14-5+
InChIKeyHLBLDGCOVBFKDD-WFRORPSUSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine with MolForge

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Related Compounds

1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 138502674
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
4-Piperidin-4-yloxycyclohexa-2,4-dien-1-amine
CID 68211950
(2S,6S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213109
(2S,6R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213122
2,3,4,4a,6,6a-hexahydro-1H-isochromeno[4,3-c]pyridine
CID 68731421
4-[[2-(cyclobutadienyl)-2,3,4,9-tetrahydro-1H-benzo[7]annulen-7-yl]oxy]piperidine
CID 69726293
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
[4-(3-Methylcyclohexa-1,5-dien-1-yl)oxypiperidin-1-yl]phosphane
CID 71188425
Spiro[isochromene-3,4'-piperidine]
CID 87563605

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine?
The IUPAC name of 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine (CID 143457436) is 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine.
What is the SMILES notation for 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine?
The canonical SMILES for 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine is C=C(/C=C\C(=C/C)OC1CCNCC1)C(C)C.
What is the InChIKey of 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine?
The InChIKey is HLBLDGCOVBFKDD-WFRORPSUSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(7-6-13(4)12(2)3)17-15-8-10-16-11-9-15/h5-7,12,15-16H,4,8-11H2,1-3H3/b7-6-,14-5+.
What are the key properties of 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine?
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine has a molecular weight of 235.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine is sourced from PubChem (CID 143457436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).