1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C9H14F3NO3 — CID 57119701

IUPAC1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(C(O)CO)CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)8(16)13-3-1-6(2-4-13)7(15)5-14/h6-7,14-15H,1-5H2
InChIKeyWVIGPLQMOKQQDQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.14
Rot. Bonds2

About 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 57119701) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID57119701
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(C(O)CO)CC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)8(16)13-3-1-6(2-4-13)7(15)5-14/h6-7,14-15H,1-5H2
InChIKeyWVIGPLQMOKQQDQ-UHFFFAOYSA-N
XLogP0.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 57119701) is 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC(C(O)CO)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is WVIGPLQMOKQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)8(16)13-3-1-6(2-4-13)7(15)5-14/h6-7,14-15H,1-5H2.
What are the key properties of 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 241.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 57119701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).