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

C13H21F3N2O3 — CID 52908346

IUPAC2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC[C@@H](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/t11-/m0/s1
InChIKeyHCRMWWGTBNMZJJ-NSHDSACASA-N
MW310.32 g/mol
LogP1.73
Rot. Bonds3

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

2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 52908346) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID52908346
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC[C@@H](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/t11-/m0/s1
InChIKeyHCRMWWGTBNMZJJ-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate (CID 52908346) is 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1.
What is the InChIKey of 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is HCRMWWGTBNMZJJ-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl (3S)-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 (3S)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 52908346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).