[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C19H31F3N2O2 — CID 157039115

IUPAC[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C19H31F3N2O2/c20-19(21,22)16-3-1-15(2-4-16)18(26)24-11-5-14(6-12-24)13-23-9-7-17(25)8-10-23/h14-17,25H,1-13H2
InChIKeyYMGCCRNDYBWCMO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.05
Rot. Bonds3

About [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 157039115) has the molecular formula C19H31F3N2O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID157039115
Molecular FormulaC19H31F3N2O2
Molecular Weight376.46 g/mol
Exact Mass376.23
IUPAC Name[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C19H31F3N2O2/c20-19(21,22)16-3-1-15(2-4-16)18(26)24-11-5-14(6-12-24)13-23-9-7-17(25)8-10-23/h14-17,25H,1-13H2
InChIKeyYMGCCRNDYBWCMO-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-hydroxypiperidin-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-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
cyclohexyl-[4-fluoro-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039096
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-(Hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932251
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
(3-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932388
(3-Hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102958800

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 157039115) is [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is YMGCCRNDYBWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N2O2/c20-19(21,22)16-3-1-15(2-4-16)18(26)24-11-5-14(6-12-24)13-23-9-7-17(25)8-10-23/h14-17,25H,1-13H2.
What are the key properties of [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 157039115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).