2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C12H19F3N2O2 — CID 62491985

IUPAC2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CN2CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17-3-1-10(2-4-17)9-16-5-7-19-8-6-16/h10H,1-9H2
InChIKeyPBUBAGJDNRIMDX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.12
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 62491985) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID62491985
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CN2CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17-3-1-10(2-4-17)9-16-5-7-19-8-6-16/h10H,1-9H2
InChIKeyPBUBAGJDNRIMDX-UHFFFAOYSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 62491985) is 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is O=C(N1CCC(CN2CCOCC2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is PBUBAGJDNRIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17-3-1-10(2-4-17)9-16-5-7-19-8-6-16/h10H,1-9H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 280.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62491985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).