1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride

C15H23ClN2O2 — CID 119376715

IUPAC1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
SMILESCc1cccc(C)c1OCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-8-6-13(16)7-9-17;/h3-5,13H,6-10,16H2,1-2H3;1H
InChIKeyXJZWCFYVNPLYCV-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride (PubChem CID 119376715) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
PubChem CID119376715
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
SMILESCc1cccc(C)c1OCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-8-6-13(16)7-9-17;/h3-5,13H,6-10,16H2,1-2H3;1H
InChIKeyXJZWCFYVNPLYCV-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride (CID 119376715) is 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride is Cc1cccc(C)c1OCC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride?
The InChIKey is XJZWCFYVNPLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-12(2)15(11)19-10-14(18)17-8-6-13(16)7-9-17;/h3-5,13H,6-10,16H2,1-2H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119376715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).