1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine

C12H16F3N — CID 91262904

IUPAC1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
SMILESC=C(C=CC(=C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2
InChIKeyFUSPFMMKNZTZAF-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.66
Rot. Bonds3

About 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine

1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine (PubChem CID 91262904) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
PubChem CID91262904
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
SMILESC=C(C=CC(=C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2
InChIKeyFUSPFMMKNZTZAF-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.66
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-(2-Ethenylbut-2-enyl)-3,3-difluoropiperidine
CID 123339362
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-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]piperidine
CID 134549692
N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
CID 135218442
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
1-[[6-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
CID 142221826
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine (CID 91262904) is 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine is C=C(C=CC(=C)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The InChIKey is FUSPFMMKNZTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2.
What are the key properties of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine has a molecular weight of 231.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 91262904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).