N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine

C13H25F3N2O — CID 62581691

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-5-17-9-12-4-3-6-18(10-12)7-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyVHACOOWKCLUZLO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds8

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 62581691) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID62581691
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-2-5-17-9-12-4-3-6-18(10-12)7-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyVHACOOWKCLUZLO-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

4-[(3S)-piperidin-3-ylmethyl]morpholine
CID 7183067
4-((Piperidin-3-yl)methyl)morpholine
CID 3157479
2-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53587802
4-(((3R)-piperidin-3-yl)methyl)morpholine
CID 7183069
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
1-[1-(2-Methoxyethyl)piperidin-3-YL]-N-methylmethanamine
CID 43811472
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
2,2-difluoro-N-methyl-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700828
2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine
CID 156802178
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
2-[3,3-Difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
CID 169135144

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine (CID 62581691) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(CCOCC(F)(F)F)C1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is VHACOOWKCLUZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-5-17-9-12-4-3-6-18(10-12)7-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).