[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride

C20H22ClF3N2O2 — CID 119560950

IUPAC[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1.Cl
InChIInChI=1S/C20H21F3N2O2.ClH/c1-24-16-8-10-25(11-9-16)19(26)14-4-2-6-17(12-14)27-18-7-3-5-15(13-18)20(21,22)23;/h2-7,12-13,16,24H,8-11H2,1H3;1H
InChIKeyWLKLHHLTKMFJDJ-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.74
Rot. Bonds4

About [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride (PubChem CID 119560950) has the molecular formula C20H22ClF3N2O2 and a molecular weight of 414.86 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
PubChem CID119560950
Molecular FormulaC20H22ClF3N2O2
Molecular Weight414.86 g/mol
Exact Mass414.13
IUPAC Name[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1.Cl
InChIInChI=1S/C20H21F3N2O2.ClH/c1-24-16-8-10-25(11-9-16)19(26)14-4-2-6-17(12-14)27-18-7-3-5-15(13-18)20(21,22)23;/h2-7,12-13,16,24H,8-11H2,1H3;1H
InChIKeyWLKLHHLTKMFJDJ-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride 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-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 119560951
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
CID 39511020
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 120814399
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
1,4-diazepan-1-yl-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119415426
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride (CID 119560950) is [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride is CNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride?
The InChIKey is WLKLHHLTKMFJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2.ClH/c1-24-16-8-10-25(11-9-16)19(26)14-4-2-6-17(12-14)27-18-7-3-5-15(13-18)20(21,22)23;/h2-7,12-13,16,24H,8-11H2,1H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride has a molecular weight of 414.86 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride is sourced from PubChem (CID 119560950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).