[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C20H33F3N2O2 — CID 155721036

IUPAC[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H33F3N2O2/c1-14-12-18(26)8-11-25(14)13-15-6-9-24(10-7-15)19(27)16-2-4-17(5-3-16)20(21,22)23/h14-18,26H,2-13H2,1H3
InChIKeyBIPCTEXWXDOGKZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.44
Rot. Bonds3

About [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 155721036) has the molecular formula C20H33F3N2O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID155721036
Molecular FormulaC20H33F3N2O2
Molecular Weight390.49 g/mol
Exact Mass390.25
IUPAC Name[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H33F3N2O2/c1-14-12-18(26)8-11-25(14)13-15-6-9-24(10-7-15)19(27)16-2-4-17(5-3-16)20(21,22)23/h14-18,26H,2-13H2,1H3
InChIKeyBIPCTEXWXDOGKZ-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(trifluoromethyl)cyclohexyl]-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286712
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
[4-(Trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039347
[4-[[4-Hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039583
[4-(trifluoromethyl)cyclohexyl]-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 166834289
[4-[[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169928472
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 81932648
(4,4-Difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103859881
[4-(1-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 106834342

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 155721036) is [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is CC1CC(O)CCN1CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is BIPCTEXWXDOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3N2O2/c1-14-12-18(26)8-11-25(14)13-15-6-9-24(10-7-15)19(27)16-2-4-17(5-3-16)20(21,22)23/h14-18,26H,2-13H2,1H3.
What are the key properties of [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 155721036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).