4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride

C19H26Cl2F4N4O — CID 88851842

IUPAC4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride
SMILESCN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1(O)CCNCC1.Cl.Cl
InChIInChI=1S/C19H24F4N4O.2ClH/c1-26(2)9-10-27-12-16(25-17(27)18(28)5-7-24-8-6-18)13-3-4-15(20)14(11-13)19(21,22)23;;/h3-4,11-12,24,28H,5-10H2,1-2H3;2*1H
InChIKeyRGNWAEDNGFVHHW-UHFFFAOYSA-N
MW473.34 g/mol
LogP3.68
Rot. Bonds5

About 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride

4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride (PubChem CID 88851842) has the molecular formula C19H26Cl2F4N4O and a molecular weight of 473.34 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride
PubChem CID88851842
Molecular FormulaC19H26Cl2F4N4O
Molecular Weight473.34 g/mol
Exact Mass472.14
IUPAC Name4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride
SMILESCN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1(O)CCNCC1.Cl.Cl
InChIInChI=1S/C19H24F4N4O.2ClH/c1-26(2)9-10-27-12-16(25-17(27)18(28)5-7-24-8-6-18)13-3-4-15(20)14(11-13)19(21,22)23;;/h3-4,11-12,24,28H,5-10H2,1-2H3;2*1H
InChIKeyRGNWAEDNGFVHHW-UHFFFAOYSA-N
XLogP3.68
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride (CID 88851842) is 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride is CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1(O)CCNCC1.Cl.Cl.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride?
The InChIKey is RGNWAEDNGFVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N4O.2ClH/c1-26(2)9-10-27-12-16(25-17(27)18(28)5-7-24-8-6-18)13-3-4-15(20)14(11-13)19(21,22)23;;/h3-4,11-12,24,28H,5-10H2,1-2H3;2*1H.
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride?
4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride has a molecular weight of 473.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 88851842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).