2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C13H23F3N2O2 — CID 111110103

IUPAC2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(CCCO)CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-11-4-2-6-18(8-11)12(20)9-17(5-3-7-19)10-13(14,15)16/h11,19H,2-10H2,1H3
InChIKeyDIQJEKNTGMALJJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.49
Rot. Bonds6

About 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 111110103) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID111110103
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CN(CCCO)CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-11-4-2-6-18(8-11)12(20)9-17(5-3-7-19)10-13(14,15)16/h11,19H,2-10H2,1H3
InChIKeyDIQJEKNTGMALJJ-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 107203920
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(azepan-1-yl)ethanone
CID 107494809
2-[ethyl(3-hydroxypropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 115666525
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381
N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022273
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
CID 107481303
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 111110103) is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CN(CCCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is DIQJEKNTGMALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11-4-2-6-18(8-11)12(20)9-17(5-3-7-19)10-13(14,15)16/h11,19H,2-10H2,1H3.
What are the key properties of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 111110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).