2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate

C13H21F3N2O3 — CID 54592932

IUPAC2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)10-21-12(19)18-3-1-2-11(9-18)8-17-4-6-20-7-5-17/h11H,1-10H2
InChIKeyHCRMWWGTBNMZJJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.73
Rot. Bonds3

About 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 54592932) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID54592932
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)10-21-12(19)18-3-1-2-11(9-18)8-17-4-6-20-7-5-17/h11H,1-10H2
InChIKeyHCRMWWGTBNMZJJ-UHFFFAOYSA-N
XLogP1.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylpiperazin-1-yl)ethyl 4-(trifluoromethyl)piperidine-1-carboxylate
CID 172434832
2-(4-Methylpiperazin-1-yl)ethyl 3,3-difluoropiperidine-1-carboxylate
CID 172435326
2-(4-Methylpiperazin-1-yl)ethyl 3-(trifluoromethyl)piperidine-1-carboxylate
CID 172438278
1-Morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 71988647
Tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
Tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
2,2,2-trifluoroethyl (3R)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 52908345
2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 52908346
2,2,2-Trifluoroethyl 4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 61066498
2,2,2-Trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 62491985
2,2-Difluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 113824562
Morpholin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115575687

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate (CID 54592932) is 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is HCRMWWGTBNMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)10-21-12(19)18-3-1-2-11(9-18)8-17-4-6-20-7-5-17/h11H,1-10H2.
What are the key properties of 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 310.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 54592932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).