1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

C14H25F3N2O — CID 63828182

IUPAC1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-12(2)3-7-19-8-4-13(5-9-19)18-6-10-20-11-14(15,16)17/h3,13,18H,4-11H2,1-2H3
InChIKeyANNFIQPAVFSDES-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (PubChem CID 63828182) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
PubChem CID63828182
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-12(2)3-7-19-8-4-13(5-9-19)18-6-10-20-11-14(15,16)17/h3,13,18H,4-11H2,1-2H3
InChIKeyANNFIQPAVFSDES-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (CID 63828182) is 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is CC(C)=CCN1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The InChIKey is ANNFIQPAVFSDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-12(2)3-7-19-8-4-13(5-9-19)18-6-10-20-11-14(15,16)17/h3,13,18H,4-11H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 63828182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).