(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

C20H26F3NO2 — CID 170373413

IUPAC(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCc1cccc(C(F)(F)F)c1CC1CCN(C(=O)C2CC(C)(O)C2)CC1
InChIInChI=1S/C20H26F3NO2/c1-13-4-3-5-17(20(21,22)23)16(13)10-14-6-8-24(9-7-14)18(25)15-11-19(2,26)12-15/h3-5,14-15,26H,6-12H2,1-2H3
InChIKeyFVQPFTRUAALZEA-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.96
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 170373413) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID170373413
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCc1cccc(C(F)(F)F)c1CC1CCN(C(=O)C2CC(C)(O)C2)CC1
InChIInChI=1S/C20H26F3NO2/c1-13-4-3-5-17(20(21,22)23)16(13)10-14-6-8-24(9-7-14)18(25)15-11-19(2,26)12-15/h3-5,14-15,26H,6-12H2,1-2H3
InChIKeyFVQPFTRUAALZEA-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (CID 170373413) is (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is Cc1cccc(C(F)(F)F)c1CC1CCN(C(=O)C2CC(C)(O)C2)CC1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is FVQPFTRUAALZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-13-4-3-5-17(20(21,22)23)16(13)10-14-6-8-24(9-7-14)18(25)15-11-19(2,26)12-15/h3-5,14-15,26H,6-12H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 170373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).