1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine

C15H27F3N2 — CID 115516869

IUPAC1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-13(2)5-10-20-11-6-14(7-12-20)19-9-4-3-8-15(16,17)18/h5,14,19H,3-4,6-12H2,1-2H3
InChIKeyCZGOMYRILNFZHR-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.74
Rot. Bonds7

About 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine (PubChem CID 115516869) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
PubChem CID115516869
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-13(2)5-10-20-11-6-14(7-12-20)19-9-4-3-8-15(16,17)18/h5,14,19H,3-4,6-12H2,1-2H3
InChIKeyCZGOMYRILNFZHR-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
CID 134594767
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070422
N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070855
N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070856
N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070858

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine (CID 115516869) is 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCCCC(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine?
The InChIKey is CZGOMYRILNFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-13(2)5-10-20-11-6-14(7-12-20)19-9-4-3-8-15(16,17)18/h5,14,19H,3-4,6-12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine is sourced from PubChem (CID 115516869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).