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

C20H21F3N2O2 — CID 119560951

IUPAC[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
SMILESCNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C20H21F3N2O2/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
InChIKeyQYOXXHBXDFRQHF-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.32
Rot. Bonds4

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

[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone (PubChem CID 119560951) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
PubChem CID119560951
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
SMILESCNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C20H21F3N2O2/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
InChIKeyQYOXXHBXDFRQHF-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone (CID 119560951) is [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone is CNC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone?
The InChIKey is QYOXXHBXDFRQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/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.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone?
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone has a molecular weight of 378.39 g/mol, XLogP of 4.32, 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 is sourced from PubChem (CID 119560951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).