4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine

C12H18FN — CID 134365700

IUPAC4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
SMILESC/C=C\C(=C/C=C/F)C1CCNCC1
InChIInChI=1S/C12H18FN/c1-2-4-11(5-3-8-13)12-6-9-14-10-7-12/h2-5,8,12,14H,6-7,9-10H2,1H3/b4-2-,8-3+,11-5+
InChIKeyRMHJOSTUFHQMCN-ZQMQWHACSA-N
MW195.28 g/mol
LogP2.97
Rot. Bonds3

About 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine

4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine (PubChem CID 134365700) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine.

Molecular Properties

Compound Name4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
PubChem CID134365700
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
SMILESC/C=C\C(=C/C=C/F)C1CCNCC1
InChIInChI=1S/C12H18FN/c1-2-4-11(5-3-8-13)12-6-9-14-10-7-12/h2-5,8,12,14H,6-7,9-10H2,1H3/b4-2-,8-3+,11-5+
InChIKeyRMHJOSTUFHQMCN-ZQMQWHACSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.97
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

Hexahydroisoquinoline
CID 54394851
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
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
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine?
The IUPAC name of 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine (CID 134365700) is 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine.
What is the SMILES notation for 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine?
The canonical SMILES for 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine is C/C=C\C(=C/C=C/F)C1CCNCC1.
What is the InChIKey of 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine?
The InChIKey is RMHJOSTUFHQMCN-ZQMQWHACSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-4-11(5-3-8-13)12-6-9-14-10-7-12/h2-5,8,12,14H,6-7,9-10H2,1H3/b4-2-,8-3+,11-5+.
What are the key properties of 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine?
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine has a molecular weight of 195.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine is sourced from PubChem (CID 134365700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).