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

C12H19F3N2O2 — CID 114678268

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CN(C(=O)C2(C(F)(F)F)CCNC2)CCC1O
InChIInChI=1S/C12H19F3N2O2/c1-8-6-17(5-2-9(8)18)10(19)11(12(13,14)15)3-4-16-7-11/h8-9,16,18H,2-7H2,1H3
InChIKeyRLLLUBGKNJBZQF-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.76
Rot. Bonds1

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

(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 114678268) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID114678268
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CN(C(=O)C2(C(F)(F)F)CCNC2)CCC1O
InChIInChI=1S/C12H19F3N2O2/c1-8-6-17(5-2-9(8)18)10(19)11(12(13,14)15)3-4-16-7-11/h8-9,16,18H,2-7H2,1H3
InChIKeyRLLLUBGKNJBZQF-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

(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708237
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114776715
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63720627
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-5-one
CID 55227834
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 114678268) is (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CN(C(=O)C2(C(F)(F)F)CCNC2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is RLLLUBGKNJBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8-6-17(5-2-9(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 (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-hydroxy-3-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 (4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 114678268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).