methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate

C15H25F3N2O3 — CID 138050328

IUPACmethyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC(N2CCOCC2)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-22-14(21)12-2-5-19(6-3-12)7-4-13(15(16,17)18)20-8-10-23-11-9-20/h12-13H,2-11H2,1H3
InChIKeyBQOSAOWNDVDCAI-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.52
Rot. Bonds5

About methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate

methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate (PubChem CID 138050328) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate
PubChem CID138050328
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Namemethyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC(N2CCOCC2)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-22-14(21)12-2-5-19(6-3-12)7-4-13(15(16,17)18)20-8-10-23-11-9-20/h12-13H,2-11H2,1H3
InChIKeyBQOSAOWNDVDCAI-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate (CID 138050328) is methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCC(N2CCOCC2)C(F)(F)F)CC1.
What is the InChIKey of methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate?
The InChIKey is BQOSAOWNDVDCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-22-14(21)12-2-5-19(6-3-12)7-4-13(15(16,17)18)20-8-10-23-11-9-20/h12-13H,2-11H2,1H3.
What are the key properties of methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate?
methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate is sourced from PubChem (CID 138050328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).