(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine

C18H26F3N — CID 178040351

IUPAC(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C
InChIInChI=1S/C18H26F3N/c1-4-8-15(14-16(9-5-2)18(19,20)21)11-12-17-10-6-7-13-22(17)3/h4,8-9,12,14H,5-7,10-11,13H2,1-3H3/b8-4-,15-14+,16-9-,17-12-
InChIKeyDIEIZYPPQNATAO-MHZIZATBSA-N
MW313.41 g/mol
LogP5.78
Rot. Bonds5

About (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine

(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine (PubChem CID 178040351) has the molecular formula C18H26F3N and a molecular weight of 313.41 g/mol. Its IUPAC name is (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine.

Molecular Properties

Compound Name(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine
PubChem CID178040351
Molecular FormulaC18H26F3N
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C
InChIInChI=1S/C18H26F3N/c1-4-8-15(14-16(9-5-2)18(19,20)21)11-12-17-10-6-7-13-22(17)3/h4,8-9,12,14H,5-7,10-11,13H2,1-3H3/b8-4-,15-14+,16-9-,17-12-
InChIKeyDIEIZYPPQNATAO-MHZIZATBSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.41
LogP ≤ 55.78
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

8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
1-[(3E,5Z)-5-[(1R)-1-chloroethyl]octa-1,3,5,7-tetraen-4-yl]-4,4-difluoropiperidine
CID 126611979
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
CID 135225542
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
Ethane;1-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydrocyclohepta[b]pyridine
CID 143548588

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine?
The IUPAC name of (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine (CID 178040351) is (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine.
What is the SMILES notation for (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine?
The canonical SMILES for (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C.
What is the InChIKey of (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine?
The InChIKey is DIEIZYPPQNATAO-MHZIZATBSA-N. The full InChI is InChI=1S/C18H26F3N/c1-4-8-15(14-16(9-5-2)18(19,20)21)11-12-17-10-6-7-13-22(17)3/h4,8-9,12,14H,5-7,10-11,13H2,1-3H3/b8-4-,15-14+,16-9-,17-12-.
What are the key properties of (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine?
(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine has a molecular weight of 313.41 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidine is sourced from PubChem (CID 178040351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).