4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine

C15H24F3N — CID 143162418

IUPAC4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine
SMILESCC/C=C(\C=C/C(C)C(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H24F3N/c1-4-5-14(7-6-13(3)15(16,17)18)19-10-8-12(2)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3/b7-6-,14-5+
InChIKeyYOGJVAWIWRLUIS-WFRORPSUSA-N
MW275.36 g/mol
LogP4.77
Rot. Bonds4

About 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine

4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine (PubChem CID 143162418) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine
PubChem CID143162418
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine
SMILESCC/C=C(\C=C/C(C)C(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H24F3N/c1-4-5-14(7-6-13(3)15(16,17)18)19-10-8-12(2)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3/b7-6-,14-5+
InChIKeyYOGJVAWIWRLUIS-WFRORPSUSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-1-methylpiperidine
CID 134365823
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
1-Methyl-4-[6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]piperidine
CID 142009760
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943
4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine
CID 143151032
ethene;1-methyl-4-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]piperidine
CID 144192157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine (CID 143162418) is 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine is CC/C=C(\C=C/C(C)C(F)(F)F)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine?
The InChIKey is YOGJVAWIWRLUIS-WFRORPSUSA-N. The full InChI is InChI=1S/C15H24F3N/c1-4-5-14(7-6-13(3)15(16,17)18)19-10-8-12(2)9-11-19/h5-7,12-13H,4,8-11H2,1-3H3/b7-6-,14-5+.
What are the key properties of 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine?
4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine has a molecular weight of 275.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-3,5-dien-4-yl]piperidine is sourced from PubChem (CID 143162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).