(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H19F3N2O2 — CID 102957174

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1O
InChIInChI=1S/C12H19F3N2O2/c1-8-2-5-17(6-9(8)18)10(19)11(12(13,14)15)3-4-16-7-11/h8-9,16,18H,2-7H2,1H3
InChIKeyLCTGWCVWFGPTLW-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.76
Rot. Bonds1

About (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 102957174) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID102957174
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1O
InChIInChI=1S/C12H19F3N2O2/c1-8-2-5-17(6-9(8)18)10(19)11(12(13,14)15)3-4-16-7-11/h8-9,16,18H,2-7H2,1H3
InChIKeyLCTGWCVWFGPTLW-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109
N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 138612292
4-(3-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419634
3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55164183
N-(2-cyclopropyl-2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227659
N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63295341
(3-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708238
[4-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708410
[2-(Hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708766
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708974
(4-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709656
(3-Ethoxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709680

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 102957174) is (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1O.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is LCTGWCVWFGPTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8-2-5-17(6-9(8)18)10(19)11(12(13,14)15)3-4-16-7-11/h8-9,16,18H,2-7H2,1H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 280.29 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 102957174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).