1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

C13H25F3N2O — CID 103779211

IUPAC1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC(C)CN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)9-18-6-3-12(4-7-18)17-5-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyZTKYPEIPZJTKRJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

About 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (PubChem CID 103779211) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
PubChem CID103779211
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC(C)CN1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(2)9-18-6-3-12(4-7-18)17-5-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyZTKYPEIPZJTKRJ-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
1-ethyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2247136
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
1-ethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 2846291
N-(1-methoxypropan-2-yl)-1-methylpiperidin-4-amine
CID 2849472
N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 23391807
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
1-[2-(Trifluoromethoxy)ethyl]piperidin-4-amine
CID 65803376
4-(3-Fluoro-piperidin-4-yl)-morpholine
CID 68670746
3-Fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 119054836
(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine
CID 141468071
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 155407830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (CID 103779211) is 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is CC(C)CN1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The InChIKey is ZTKYPEIPZJTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2)9-18-6-3-12(4-7-18)17-5-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 103779211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).