(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine

C13H20FN — CID 134292370

IUPAC(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
SMILESC=C/C=C(C)\C(F)=C/C[C@H]1CCCNC1
InChIInChI=1S/C13H20FN/c1-3-5-11(2)13(14)8-7-12-6-4-9-15-10-12/h3,5,8,12,15H,1,4,6-7,9-10H2,2H3/b11-5-,13-8+/t12-/m1/s1
InChIKeyXKEUKGFYHSPSIL-LNMYIWMBSA-N
MW209.31 g/mol
LogP3.36
Rot. Bonds4

About (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine

(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine (PubChem CID 134292370) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
PubChem CID134292370
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
SMILESC=C/C=C(C)\C(F)=C/C[C@H]1CCCNC1
InChIInChI=1S/C13H20FN/c1-3-5-11(2)13(14)8-7-12-6-4-9-15-10-12/h3,5,8,12,15H,1,4,6-7,9-10H2,2H3/b11-5-,13-8+/t12-/m1/s1
InChIKeyXKEUKGFYHSPSIL-LNMYIWMBSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.36
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

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
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
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
4-(5-Fluoro-4-methyl-6-sulfinylcyclohexa-2,4-dien-1-yl)piperidine
CID 88207094
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[(3Z,5E)-5-fluorohepta-3,5-dienyl]piperidine-4-carbonitrile
CID 89060679

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine?
The IUPAC name of (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine (CID 134292370) is (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine.
What is the SMILES notation for (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine?
The canonical SMILES for (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine is C=C/C=C(C)\C(F)=C/C[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine?
The InChIKey is XKEUKGFYHSPSIL-LNMYIWMBSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-5-11(2)13(14)8-7-12-6-4-9-15-10-12/h3,5,8,12,15H,1,4,6-7,9-10H2,2H3/b11-5-,13-8+/t12-/m1/s1.
What are the key properties of (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine?
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine is sourced from PubChem (CID 134292370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).