[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride

C19H22ClF3N4O2 — CID 22617926

IUPAC[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC(C)Oc1ccnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-13(2)28-16-7-8-23-18(24-16)26-11-9-25(10-12-26)17(27)14-5-3-4-6-15(14)19(20,21)22;/h3-8,13H,9-12H2,1-2H3;1H
InChIKeyVGYZGNBPZDFEJO-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.67
Rot. Bonds4

About [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride

[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 22617926) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID22617926
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC Name[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC(C)Oc1ccnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-13(2)28-16-7-8-23-18(24-16)26-11-9-25(10-12-26)17(27)14-5-3-4-6-15(14)19(20,21)22;/h3-8,13H,9-12H2,1-2H3;1H
InChIKeyVGYZGNBPZDFEJO-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
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2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzaldehyde
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Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 22617926) is [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride is CC(C)Oc1ccnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1.Cl.
What is the InChIKey of [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is VGYZGNBPZDFEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2.ClH/c1-13(2)28-16-7-8-23-18(24-16)26-11-9-25(10-12-26)17(27)14-5-3-4-6-15(14)19(20,21)22;/h3-8,13H,9-12H2,1-2H3;1H.
What are the key properties of [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
[4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 430.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 22617926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).