4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine

C13H20FN — CID 134365832

IUPAC4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C=C\C(F)=C/C)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h4-6,12H,2,7-10H2,1,3H3/b6-5-,13-4+
InChIKeyQNLREKLEAKGMJA-BDNXDWBHSA-N
MW209.31 g/mol
LogP3.31
Rot. Bonds3

About 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine

4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine (PubChem CID 134365832) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine
PubChem CID134365832
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C=C\C(F)=C/C)C1CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h4-6,12H,2,7-10H2,1,3H3/b6-5-,13-4+
InChIKeyQNLREKLEAKGMJA-BDNXDWBHSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546
2-Ethyltetrahydroisoquinoline
CID 129739616
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine (CID 134365832) is 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine is C=C(/C=C\C(F)=C/C)C1CCN(C)CC1.
What is the InChIKey of 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The InChIKey is QNLREKLEAKGMJA-BDNXDWBHSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h4-6,12H,2,7-10H2,1,3H3/b6-5-,13-4+.
What are the key properties of 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine?
4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine has a molecular weight of 209.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-methylpiperidine is sourced from PubChem (CID 134365832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).