[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone

C13H21F3N2O2 — CID 114909036

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CCC(CCO)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-2-11(17-7-10)12(20)18-5-3-9(8-18)4-6-19/h9-11,17,19H,1-8H2
InChIKeyYTSCVSAMZYKISC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.15
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114909036) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114909036
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CCC(CCO)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-2-11(17-7-10)12(20)18-5-3-9(8-18)4-6-19/h9-11,17,19H,1-8H2
InChIKeyYTSCVSAMZYKISC-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908583
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 102932999
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908938
(5R)-5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 103821077
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572
(3,3-dimethylpiperidin-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114084330
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908901
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107217072

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114909036) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone is O=C(C1CCC(C(F)(F)F)CN1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is YTSCVSAMZYKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-1-2-11(17-7-10)12(20)18-5-3-9(8-18)4-6-19/h9-11,17,19H,1-8H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).