4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine

C17H28FNO — CID 142399915

IUPAC4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
SMILESC/C=C(OCC1CCN(C)CC1)\C(F)=C/C=C/C(C)C
InChIInChI=1S/C17H28FNO/c1-5-17(16(18)8-6-7-14(2)3)20-13-15-9-11-19(4)12-10-15/h5-8,14-15H,9-13H2,1-4H3/b7-6+,16-8+,17-5+
InChIKeyQJJUCSODTHPBCF-XCSXLJCDSA-N
MW281.42 g/mol
LogP4.31
Rot. Bonds6

About 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine

4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine (PubChem CID 142399915) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
PubChem CID142399915
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
SMILESC/C=C(OCC1CCN(C)CC1)\C(F)=C/C=C/C(C)C
InChIInChI=1S/C17H28FNO/c1-5-17(16(18)8-6-7-14(2)3)20-13-15-9-11-19(4)12-10-15/h5-8,14-15H,9-13H2,1-4H3/b7-6+,16-8+,17-5+
InChIKeyQJJUCSODTHPBCF-XCSXLJCDSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.31
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'}

Analyze 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2E,4Z)-3-ethoxy-6-fluorohepta-2,4,6-trienyl]-3-methyl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 134405162
Tert-butyl 4-[(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine-1-carboxylate
CID 163419715
3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 176701386
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
ethane;4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
CID 142399914
4-[(1Z,5Z,7Z)-4,6-dimethylcycloocta-1,5,7-trien-1-yl]oxy-1-methylpiperidine
CID 143093202
1-[(Z)-3-[(E)-1,4-dioxan-2-ylidenemethyl]pent-3-enyl]-4-(methoxymethyl)piperidine
CID 143221380
4-ethenyl-8-methyl-3-[(Z)-prop-1-enyl]-2-oxa-8-azaspiro[4.5]dec-3-ene
CID 143782126
4-[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]-1-methylpiperidine
CID 144151476
ethane;1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302449

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine?
The IUPAC name of 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine (CID 142399915) is 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine?
The canonical SMILES for 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine is C/C=C(OCC1CCN(C)CC1)\C(F)=C/C=C/C(C)C.
What is the InChIKey of 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine?
The InChIKey is QJJUCSODTHPBCF-XCSXLJCDSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-17(16(18)8-6-7-14(2)3)20-13-15-9-11-19(4)12-10-15/h5-8,14-15H,9-13H2,1-4H3/b7-6+,16-8+,17-5+.
What are the key properties of 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine?
4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine is sourced from PubChem (CID 142399915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).