1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride

C16H21ClF3N3O2 — CID 122516823

IUPAC1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19;/h4-5,12H,2-3,6-9,20H2,1H3;1H
InChIKeyZANINFWFGVQKKJ-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.76
Rot. Bonds3

About 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride

1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride (PubChem CID 122516823) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride
PubChem CID122516823
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC Name1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19;/h4-5,12H,2-3,6-9,20H2,1H3;1H
InChIKeyZANINFWFGVQKKJ-UHFFFAOYSA-N
XLogP2.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride (CID 122516823) is 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride is CC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1.Cl.
What is the InChIKey of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride?
The InChIKey is ZANINFWFGVQKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2.ClH/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19;/h4-5,12H,2-3,6-9,20H2,1H3;1H.
What are the key properties of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride?
1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride has a molecular weight of 379.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride is sourced from PubChem (CID 122516823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).