(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine

C15H25F3N2 — CID 144862403

IUPAC(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
SMILESC=C(/C(CNC(C)C)=C(\C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C15H25F3N2/c1-11(2)19-10-14(12(3)15(16,17)18)13(4)20-8-6-5-7-9-20/h11,19H,4-10H2,1-3H3/b14-12+
InChIKeyGUDDYZZYVTZPAR-WYMLVPIESA-N
MW290.37 g/mol
LogP3.86
Rot. Bonds5

About (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine

(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine (PubChem CID 144862403) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
PubChem CID144862403
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
SMILESC=C(/C(CNC(C)C)=C(\C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C15H25F3N2/c1-11(2)19-10-14(12(3)15(16,17)18)13(4)20-8-6-5-7-9-20/h11,19H,4-10H2,1-3H3/b14-12+
InChIKeyGUDDYZZYVTZPAR-WYMLVPIESA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
CID 167025559
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223315
N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962808
(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine
CID 145230071
1-[4-amino-2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 162608490
2-ethenyl-3-piperidin-1-yl-N-propan-2-ylbut-2-en-1-amine
CID 123149322
1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine
CID 130178455
(2E,4E)-2-ethenyl-1-N-(1-methylpiperidin-4-yl)hexa-2,4-diene-1,5-diamine
CID 143911369
(1E)-3-methyl-1-N-(1-propylpiperidin-4-yl)buta-1,3-diene-1,2-diamine
CID 155722355
3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine
CID 143112157

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine (CID 144862403) is (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine is C=C(/C(CNC(C)C)=C(\C)C(F)(F)F)N1CCCCC1.
What is the InChIKey of (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is GUDDYZZYVTZPAR-WYMLVPIESA-N. The full InChI is InChI=1S/C15H25F3N2/c1-11(2)19-10-14(12(3)15(16,17)18)13(4)20-8-6-5-7-9-20/h11,19H,4-10H2,1-3H3/b14-12+.
What are the key properties of (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine?
(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 290.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 144862403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).