1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine

C18H26F3N — CID 170033278

IUPAC1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine
SMILESC=CCC1CCN(C2CC(C)(C(F)(F)F)CC=C2C=C)CC1
InChIInChI=1S/C18H26F3N/c1-4-6-14-8-11-22(12-9-14)16-13-17(3,18(19,20)21)10-7-15(16)5-2/h4-5,7,14,16H,1-2,6,8-13H2,3H3
InChIKeyDZEAKYGGRHBTAF-UHFFFAOYSA-N
MW313.41 g/mol
LogP5.12
Rot. Bonds4

About 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine

1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine (PubChem CID 170033278) has the molecular formula C18H26F3N and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine.

Molecular Properties

Compound Name1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine
PubChem CID170033278
Molecular FormulaC18H26F3N
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine
SMILESC=CCC1CCN(C2CC(C)(C(F)(F)F)CC=C2C=C)CC1
InChIInChI=1S/C18H26F3N/c1-4-6-14-8-11-22(12-9-14)16-13-17(3,18(19,20)21)10-7-15(16)5-2/h4-5,7,14,16H,1-2,6,8-13H2,3H3
InChIKeyDZEAKYGGRHBTAF-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
CID 134865894
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
CID 23433655
6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
CID 23433681
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
(8R)-1-[(1Z)-buta-1,3-dienyl]-4-ethyl-6,8-difluoro-2,3,3,4-tetramethyl-6,7,8,8a-tetrahydro-1H-isoquinoline
CID 89093088
(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 89128670
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine?
The IUPAC name of 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine (CID 170033278) is 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine.
What is the SMILES notation for 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine?
The canonical SMILES for 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine is C=CCC1CCN(C2CC(C)(C(F)(F)F)CC=C2C=C)CC1.
What is the InChIKey of 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine?
The InChIKey is DZEAKYGGRHBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N/c1-4-6-14-8-11-22(12-9-14)16-13-17(3,18(19,20)21)10-7-15(16)5-2/h4-5,7,14,16H,1-2,6,8-13H2,3H3.
What are the key properties of 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine?
1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine has a molecular weight of 313.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine is sourced from PubChem (CID 170033278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).