N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine

C13H25F3N2O — CID 63853081

IUPACN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(17-2)12-4-7-18(8-5-12)6-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyZHAWRFWVZKZMQA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine

N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine (PubChem CID 63853081) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
PubChem CID63853081
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(17-2)12-4-7-18(8-5-12)6-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyZHAWRFWVZKZMQA-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

4-(1-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 106838250
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
CID 63852723
1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63828546
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592230
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106448993
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butanenitrile
CID 63339270
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
2-methyl-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepan-1-yl]propan-1-amine
CID 61491188
N,3-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 114507398
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 104975515

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine (CID 63853081) is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine is CNC(C)C1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine?
The InChIKey is ZHAWRFWVZKZMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(17-2)12-4-7-18(8-5-12)6-3-9-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine?
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine 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 N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63853081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).