4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine

C12H20FN — CID 142871635

IUPAC4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
SMILESC=C/C(F)=C\CCCC1CCNCC1
InChIInChI=1S/C12H20FN/c1-2-12(13)6-4-3-5-11-7-9-14-10-8-11/h2,6,11,14H,1,3-5,7-10H2/b12-6+
InChIKeyLZYLZKCSRMTCIU-WUXMJOGZSA-N
MW197.30 g/mol
LogP3.20
Rot. Bonds5

About 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine

4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine (PubChem CID 142871635) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine.

Molecular Properties

Compound Name4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
PubChem CID142871635
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
SMILESC=C/C(F)=C\CCCC1CCNCC1
InChIInChI=1S/C12H20FN/c1-2-12(13)6-4-3-5-11-7-9-14-10-8-11/h2,6,11,14H,1,3-5,7-10H2/b12-6+
InChIKeyLZYLZKCSRMTCIU-WUXMJOGZSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azaspiro[5.5]undec-8-ene
CID 13106448
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydro-benz[g]isochinoline
CID 129648171
(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
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
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
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine?
The IUPAC name of 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine (CID 142871635) is 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine.
What is the SMILES notation for 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine?
The canonical SMILES for 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine is C=C/C(F)=C\CCCC1CCNCC1.
What is the InChIKey of 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine?
The InChIKey is LZYLZKCSRMTCIU-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H20FN/c1-2-12(13)6-4-3-5-11-7-9-14-10-8-11/h2,6,11,14H,1,3-5,7-10H2/b12-6+.
What are the key properties of 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine?
4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine has a molecular weight of 197.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine is sourced from PubChem (CID 142871635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).