1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride

C13H27Cl2N3O2 — CID 154910756

IUPAC1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
SMILESCN(CC(=O)N1CCCC(O)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-15(11-4-6-14-7-5-11)10-13(18)16-8-2-3-12(17)9-16;;/h11-12,14,17H,2-10H2,1H3;2*1H
InChIKeyJUXLAQJJDMFSJA-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.50
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride

1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride (PubChem CID 154910756) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
PubChem CID154910756
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
SMILESCN(CC(=O)N1CCCC(O)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-15(11-4-6-14-7-5-11)10-13(18)16-8-2-3-12(17)9-16;;/h11-12,14,17H,2-10H2,1H3;2*1H
InChIKeyJUXLAQJJDMFSJA-UHFFFAOYSA-N
XLogP0.50
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride (CID 154910756) is 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride is CN(CC(=O)N1CCCC(O)C1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The InChIKey is JUXLAQJJDMFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-15(11-4-6-14-7-5-11)10-13(18)16-8-2-3-12(17)9-16;;/h11-12,14,17H,2-10H2,1H3;2*1H.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride is sourced from PubChem (CID 154910756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).