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

C14H27F3N2O2 — CID 62593646

IUPAC2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2/c1-20-10-5-18-11-13-3-7-19(8-4-13)6-2-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyLSTAFWRYTRBNEP-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.90
Rot. Bonds10

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

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 62593646) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine
PubChem CID62593646
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2/c1-20-10-5-18-11-13-3-7-19(8-4-13)6-2-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyLSTAFWRYTRBNEP-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]-N-(piperidin-4-ylmethyl)ethanamine
CID 44592951
2-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53587802
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
2-[4-[(2-Ethoxyethylamino)methyl]piperidin-1-yl]ethanol
CID 72141115
4-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 68291206
4-(2,2,2-Trifluoro-ethyl)-1-oxa-4,9-diaza-spiro[5.5]undecane
CID 97628606
2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700819
2,2,2-trifluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700825
2,2-difluoro-N-methyl-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700828
2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine
CID 156799248
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine (CID 62593646) is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is LSTAFWRYTRBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-20-10-5-18-11-13-3-7-19(8-4-13)6-2-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 312.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62593646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).