(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O2 — CID 61261071

IUPAC(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(19)9-5-8(18)6-15-9/h8-9,15,18H,1-7H2
InChIKeyQZOHIQWMOZEJGY-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.58
Rot. Bonds2

About (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61261071) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61261071
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(19)9-5-8(18)6-15-9/h8-9,15,18H,1-7H2
InChIKeyQZOHIQWMOZEJGY-UHFFFAOYSA-N
XLogP-0.58
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259978
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119843323
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
(4-hydroxypyrrolidin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119838208
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119843322
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937670
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61261071) is (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(C1CC(O)CN1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is QZOHIQWMOZEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(19)9-5-8(18)6-15-9/h8-9,15,18H,1-7H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 281.28 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61261071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).