(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride

C13H24Cl2F3N3O2 — CID 119838363

IUPAC(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H22F3N3O2.2ClH/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16;;/h17H,2-10H2,1H3;2*1H
InChIKeyLKIMTXIHMGVIBJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP1.31
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride

(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119838363) has the molecular formula C13H24Cl2F3N3O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119838363
Molecular FormulaC13H24Cl2F3N3O2
Molecular Weight382.25 g/mol
Exact Mass381.12
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H22F3N3O2.2ClH/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16;;/h17H,2-10H2,1H3;2*1H
InChIKeyLKIMTXIHMGVIBJ-UHFFFAOYSA-N
XLogP1.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride 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

azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 119891706
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840066
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119782206
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride (CID 119838363) is (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride is COC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is LKIMTXIHMGVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2.2ClH/c1-21-12(2-4-17-5-3-12)11(20)19-8-6-18(7-9-19)10-13(14,15)16;;/h17H,2-10H2,1H3;2*1H.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride?
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 382.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119838363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).