2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C14H21F3N2O3 — CID 110294889

IUPAC2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCC(CO)C1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(22)18-6-3-11(4-7-18)12(21)19-5-1-2-10(8-19)9-20/h10-11,20H,1-9H2
InChIKeyCARHYBNLBRBFMK-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.02
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110294889) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110294889
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCC(CO)C1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(22)18-6-3-11(4-7-18)12(21)19-5-1-2-10(8-19)9-20/h10-11,20H,1-9H2
InChIKeyCARHYBNLBRBFMK-UHFFFAOYSA-N
XLogP1.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110294889) is 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCC(CO)C1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CARHYBNLBRBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(22)18-6-3-11(4-7-18)12(21)19-5-1-2-10(8-19)9-20/h10-11,20H,1-9H2.
What are the key properties of 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 322.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110294889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).