pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone

C13H21F3N2O2 — CID 75507561

IUPACpyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(O)C(F)(F)F)CC1)N1CCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)9-17-7-3-10(4-8-17)12(20)18-5-1-2-6-18/h10-11,19H,1-9H2
InChIKeyPJQXEKXILALOMI-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds3

About pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone (PubChem CID 75507561) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
PubChem CID75507561
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Namepyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CC(O)C(F)(F)F)CC1)N1CCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)9-17-7-3-10(4-8-17)12(20)18-5-1-2-6-18/h10-11,19H,1-9H2
InChIKeyPJQXEKXILALOMI-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419634
4-(4-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419658
[4-(2-Hydroxypropyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 53624001
1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 63899581
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78896670
[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 95350263
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 95350264
pyrrolidin-1-yl-[1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833115
pyrrolidin-1-yl-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833116
3-(3,3,3-Trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103686829
1-(2-methylpropanoyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103723107
1-acetyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103726390

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone (CID 75507561) is pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone is O=C(C1CCN(CC(O)C(F)(F)F)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone?
The InChIKey is PJQXEKXILALOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)11(19)9-17-7-3-10(4-8-17)12(20)18-5-1-2-6-18/h10-11,19H,1-9H2.
What are the key properties of pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 75507561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).