4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide

C12H21F3N2O2 — CID 131923208

IUPAC4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCN1CCCC(CO)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)4-3-11(19)16-5-7-17-6-1-2-10(8-17)9-18/h10,18H,1-9H2,(H,16,19)
InChIKeyWTIPOEXXQXDSLA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds6

About 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide

4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide (PubChem CID 131923208) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
PubChem CID131923208
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCN1CCCC(CO)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)4-3-11(19)16-5-7-17-6-1-2-10(8-17)9-18/h10,18H,1-9H2,(H,16,19)
InChIKeyWTIPOEXXQXDSLA-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide (CID 131923208) is 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide is O=C(CCC(F)(F)F)NCCN1CCCC(CO)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide?
The InChIKey is WTIPOEXXQXDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)4-3-11(19)16-5-7-17-6-1-2-10(8-17)9-18/h10,18H,1-9H2,(H,16,19).
What are the key properties of 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide?
4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 131923208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).