2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H23F3N2O2 — CID 110019881

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(O)C1CCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H23F3N2O2/c1-10(20)11-4-6-18(7-11)9-13(21)19-5-2-3-12(8-19)14(15,16)17/h10-12,20H,2-9H2,1H3
InChIKeyMOLDJJAXUGJIQP-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.49
Rot. Bonds3

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 110019881) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID110019881
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(O)C1CCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H23F3N2O2/c1-10(20)11-4-6-18(7-11)9-13(21)19-5-2-3-12(8-19)14(15,16)17/h10-12,20H,2-9H2,1H3
InChIKeyMOLDJJAXUGJIQP-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156798850
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799040
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane
CID 156799180
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 172511233
2-[4-(Hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87017173
2-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572403
2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572404
2-[(2-Hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109397664
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109883516
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 109883905
2-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109901940

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 110019881) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CC(O)C1CCN(CC(=O)N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is MOLDJJAXUGJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-10(20)11-4-6-18(7-11)9-13(21)19-5-2-3-12(8-19)14(15,16)17/h10-12,20H,2-9H2,1H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110019881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).