[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

C10H19F3N2O — CID 61490445

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-4-2-1-3-9(15)7-14/h9H,1-8,14H2
InChIKeyOMWSXCOZOIIXOC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (PubChem CID 61490445) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
PubChem CID61490445
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-4-2-1-3-9(15)7-14/h9H,1-8,14H2
InChIKeyOMWSXCOZOIIXOC-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 112622698
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 113265479

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (CID 61490445) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is NCC1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The InChIKey is OMWSXCOZOIIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-4-2-1-3-9(15)7-14/h9H,1-8,14H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 61490445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).