4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine

C18H31NO — CID 156641407

IUPAC4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine
SMILESC/C=C\C(=C/C(C)=C(\C)CC)COC1CCN(C)CC1
InChIInChI=1S/C18H31NO/c1-6-8-17(13-16(4)15(3)7-2)14-20-18-9-11-19(5)12-10-18/h6,8,13,18H,7,9-12,14H2,1-5H3/b8-6-,16-15+,17-13+
InChIKeyYDICMUDHEGEGAK-OZMGIFFASA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds6

About 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine

4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine (PubChem CID 156641407) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine
PubChem CID156641407
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine
SMILESC/C=C\C(=C/C(C)=C(\C)CC)COC1CCN(C)CC1
InChIInChI=1S/C18H31NO/c1-6-8-17(13-16(4)15(3)7-2)14-20-18-9-11-19(5)12-10-18/h6,8,13,18H,7,9-12,14H2,1-5H3/b8-6-,16-15+,17-13+
InChIKeyYDICMUDHEGEGAK-OZMGIFFASA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine with MolForge

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Related Compounds

1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine?
The IUPAC name of 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine (CID 156641407) is 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine is C/C=C\C(=C/C(C)=C(\C)CC)COC1CCN(C)CC1.
What is the InChIKey of 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine?
The InChIKey is YDICMUDHEGEGAK-OZMGIFFASA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-17(13-16(4)15(3)7-2)14-20-18-9-11-19(5)12-10-18/h6,8,13,18H,7,9-12,14H2,1-5H3/b8-6-,16-15+,17-13+.
What are the key properties of 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine?
4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-4,5-dimethyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]-1-methylpiperidine is sourced from PubChem (CID 156641407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).