(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride

C18H24ClF3N2O2 — CID 171361801

IUPAC(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)c(C3CCNCC3)c2)CCO1.Cl
InChIInChI=1S/C18H23F3N2O2.ClH/c1-12-11-23(8-9-25-12)17(24)14-2-3-16(18(19,20)21)15(10-14)13-4-6-22-7-5-13;/h2-3,10,12-13,22H,4-9,11H2,1H3;1H
InChIKeyVOTFPXBKYDFIIE-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.46
Rot. Bonds2

About (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride

(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 171361801) has the molecular formula C18H24ClF3N2O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID171361801
Molecular FormulaC18H24ClF3N2O2
Molecular Weight392.85 g/mol
Exact Mass392.15
IUPAC Name(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)c(C3CCNCC3)c2)CCO1.Cl
InChIInChI=1S/C18H23F3N2O2.ClH/c1-12-11-23(8-9-25-12)17(24)14-2-3-16(18(19,20)21)15(10-14)13-4-6-22-7-5-13;/h2-3,10,12-13,22H,4-9,11H2,1H3;1H
InChIKeyVOTFPXBKYDFIIE-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 171361801) is (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride is CC1CN(C(=O)c2ccc(C(F)(F)F)c(C3CCNCC3)c2)CCO1.Cl.
What is the InChIKey of (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is VOTFPXBKYDFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2.ClH/c1-12-11-23(8-9-25-12)17(24)14-2-3-16(18(19,20)21)15(10-14)13-4-6-22-7-5-13;/h2-3,10,12-13,22H,4-9,11H2,1H3;1H.
What are the key properties of (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride?
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 392.85 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 171361801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).