4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine

C13H17F4N — CID 143151032

IUPAC4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C/C(=C(/F)C(=C)C1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C13H17F4N/c1-4-11(13(15,16)17)12(14)9(2)10-5-7-18(3)8-6-10/h4,10H,1-2,5-8H2,3H3/b12-11-
InChIKeyYBNGXZNQYAPZQP-QXMHVHEDSA-N
MW263.28 g/mol
LogP3.86
Rot. Bonds3

About 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine

4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine (PubChem CID 143151032) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine
PubChem CID143151032
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C/C(=C(/F)C(=C)C1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C13H17F4N/c1-4-11(13(15,16)17)12(14)9(2)10-5-7-18(3)8-6-10/h4,10H,1-2,5-8H2,3H3/b12-11-
InChIKeyYBNGXZNQYAPZQP-QXMHVHEDSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-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

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-Ethyltetrahydroisoquinoline
CID 129739616
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
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine (CID 143151032) is 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine is C=C/C(=C(/F)C(=C)C1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine?
The InChIKey is YBNGXZNQYAPZQP-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H17F4N/c1-4-11(13(15,16)17)12(14)9(2)10-5-7-18(3)8-6-10/h4,10H,1-2,5-8H2,3H3/b12-11-.
What are the key properties of 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine?
4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine has a molecular weight of 263.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-3-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1-methylpiperidine is sourced from PubChem (CID 143151032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).