[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate

C14H24F3N3O3 — CID 141217776

IUPAC[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCN1CCCCC1CNCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C14H24F3N3O3/c15-14(16,17)10-18-9-12-3-1-2-4-20(12)11-23-13(21)19-5-7-22-8-6-19/h12,18H,1-11H2
InChIKeyFJPRRVQYAXJZMO-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.42
Rot. Bonds5

About [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate

[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate (PubChem CID 141217776) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate
PubChem CID141217776
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Name[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCN1CCCCC1CNCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C14H24F3N3O3/c15-14(16,17)10-18-9-12-3-1-2-4-20(12)11-23-13(21)19-5-7-22-8-6-19/h12,18H,1-11H2
InChIKeyFJPRRVQYAXJZMO-UHFFFAOYSA-N
XLogP1.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{2-[(morpholin-4-yl)methyl]piperidin-1-yl}-N-(2,2,2-trifluoroethyl)propanamide
CID 72115581
morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
CID 164640198
1-(morpholine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 136574353
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
Trifluoromethyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
CID 71265113
[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate
CID 142272913
[2-Oxo-2-(4-piperazin-1-ylpiperidin-1-yl)ethyl] 2,2,2-trifluoroacetate
CID 142761303
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
CID 145497278
[1-(Oxetan-3-yl)-4-piperidin-4-ylpiperazin-2-yl] 2,2,2-trifluoroacetate
CID 153408585
(1-Methyl-4-piperidin-4-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408588
(4-Piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408590
[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid
CID 166771347

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate (CID 141217776) is [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate is O=C(OCN1CCCCC1CNCC(F)(F)F)N1CCOCC1.
What is the InChIKey of [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate?
The InChIKey is FJPRRVQYAXJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3/c15-14(16,17)10-18-9-12-3-1-2-4-20(12)11-23-13(21)19-5-7-22-8-6-19/h12,18H,1-11H2.
What are the key properties of [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate?
[2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate has a molecular weight of 339.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 141217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).