3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine

C13H18F3N — CID 176663282

IUPAC3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C(/C)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C13H18F3N/c1-10(12-7-4-8-17-9-12)5-3-6-11(2)13(14,15)16/h3,5-6,12,17H,1,4,7-9H2,2H3/b5-3-,11-6+
InChIKeyMUXSYAQPWKYZDP-GGKXIICKSA-N
MW245.29 g/mol
LogP3.61
Rot. Bonds3

About 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine

3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine (PubChem CID 176663282) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine
PubChem CID176663282
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine
SMILESC=C(/C=C\C=C(/C)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C13H18F3N/c1-10(12-7-4-8-17-9-12)5-3-6-11(2)13(14,15)16/h3,5-6,12,17H,1,4,7-9H2,2H3/b5-3-,11-6+
InChIKeyMUXSYAQPWKYZDP-GGKXIICKSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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
4-(Difluoromethylidene)-tetrahydroquinoline
CID 171378030
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
1-[(2Z,4E)-4-(difluoromethyl)hepta-2,4,6-trienyl]-3-azabicyclo[3.1.0]hexane
CID 88999694
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine (CID 176663282) is 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine is C=C(/C=C\C=C(/C)C(F)(F)F)C1CCCNC1.
What is the InChIKey of 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine?
The InChIKey is MUXSYAQPWKYZDP-GGKXIICKSA-N. The full InChI is InChI=1S/C13H18F3N/c1-10(12-7-4-8-17-9-12)5-3-6-11(2)13(14,15)16/h3,5-6,12,17H,1,4,7-9H2,2H3/b5-3-,11-6+.
What are the key properties of 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine?
3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine has a molecular weight of 245.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 176663282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).