N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide

C8H13F3N2O4 — CID 20757634

IUPACN-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1NCC(CO)C(O)C1O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c9-8(10,11)7(17)13-6-5(16)4(15)3(2-14)1-12-6/h3-6,12,14-16H,1-2H2,(H,13,17)
InChIKeyUARMJIYLFSUNDJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP-2.08
Rot. Bonds2

About N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide

N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 20757634) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID20757634
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC NameN-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1NCC(CO)C(O)C1O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c9-8(10,11)7(17)13-6-5(16)4(15)3(2-14)1-12-6/h3-6,12,14-16H,1-2H2,(H,13,17)
InChIKeyUARMJIYLFSUNDJ-UHFFFAOYSA-N
XLogP-2.08
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide (CID 20757634) is N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide is O=C(NC1NCC(CO)C(O)C1O)C(F)(F)F.
What is the InChIKey of N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UARMJIYLFSUNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c9-8(10,11)7(17)13-6-5(16)4(15)3(2-14)1-12-6/h3-6,12,14-16H,1-2H2,(H,13,17).
What are the key properties of N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide?
N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 258.20 g/mol, XLogP of -2.08, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 20757634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).