(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C13H22ClF3N2O2 — CID 119707277

IUPAC(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(F)(F)F)CC2)CCNCC1.Cl
InChIInChI=1S/C13H21F3N2O2.ClH/c1-20-12(4-6-17-7-5-12)11(19)18-8-2-10(3-9-18)13(14,15)16;/h10,17H,2-9H2,1H3;1H
InChIKeyRAIILCMXUOKYQQ-UHFFFAOYSA-N
MW330.78 g/mol
LogP1.98
Rot. Bonds2

About (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119707277) has the molecular formula C13H22ClF3N2O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119707277
Molecular FormulaC13H22ClF3N2O2
Molecular Weight330.78 g/mol
Exact Mass330.13
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(F)(F)F)CC2)CCNCC1.Cl
InChIInChI=1S/C13H21F3N2O2.ClH/c1-20-12(4-6-17-7-5-12)11(19)18-8-2-10(3-9-18)13(14,15)16;/h10,17H,2-9H2,1H3;1H
InChIKeyRAIILCMXUOKYQQ-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 119707277) is (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is COC1(C(=O)N2CCC(C(F)(F)F)CC2)CCNCC1.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is RAIILCMXUOKYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2.ClH/c1-20-12(4-6-17-7-5-12)11(19)18-8-2-10(3-9-18)13(14,15)16;/h10,17H,2-9H2,1H3;1H.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
(4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 330.78 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119707277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).