N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine

C13H25F3N2O — CID 62581283

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-2-17-10-12-6-3-4-7-18(12)8-5-9-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyWHIIMYLONNXAHY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 62581283) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
PubChem CID62581283
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-2-17-10-12-6-3-4-7-18(12)8-5-9-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyWHIIMYLONNXAHY-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 81025570
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 114496972

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine (CID 62581283) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CCCOCC(F)(F)F.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is WHIIMYLONNXAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-17-10-12-6-3-4-7-18(12)8-5-9-19-11-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62581283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).