2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine

C11H17F2N — CID 123481461

IUPAC2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine
SMILESCC(F)=CC(=C(C)F)C1CCCCN1
InChIInChI=1S/C11H17F2N/c1-8(12)7-10(9(2)13)11-5-3-4-6-14-11/h7,11,14H,3-6H2,1-2H3
InChIKeyBYAUZYWCAQWHGJ-UHFFFAOYSA-N
MW201.26 g/mol
LogP3.25
Rot. Bonds2

About 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine

2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine (PubChem CID 123481461) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine.

Molecular Properties

Compound Name2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine
PubChem CID123481461
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine
SMILESCC(F)=CC(=C(C)F)C1CCCCN1
InChIInChI=1S/C11H17F2N/c1-8(12)7-10(9(2)13)11-5-3-4-6-14-11/h7,11,14H,3-6H2,1-2H3
InChIKeyBYAUZYWCAQWHGJ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.25
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

(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
2-Methyl-6-prop-1-enylpiperidine
CID 580067
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
CID 5320605
(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
CID 134865894
(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 58193783
4-Methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 68639752
6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
CID 23215469
2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine?
The IUPAC name of 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine (CID 123481461) is 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine.
What is the SMILES notation for 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine?
The canonical SMILES for 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine is CC(F)=CC(=C(C)F)C1CCCCN1.
What is the InChIKey of 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine?
The InChIKey is BYAUZYWCAQWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(12)7-10(9(2)13)11-5-3-4-6-14-11/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine?
2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine has a molecular weight of 201.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorohexa-2,4-dien-3-yl)piperidine is sourced from PubChem (CID 123481461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).