1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone

C16H31N3O — CID 60806605

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
SMILESCCN(CC(=O)N1C(C)CCCC1C)C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-4-18(15-8-10-17-11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15,17H,4-12H2,1-3H3
InChIKeyARJIYAVMHJLTCT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone (PubChem CID 60806605) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
PubChem CID60806605
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
SMILESCCN(CC(=O)N1C(C)CCCC1C)C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-4-18(15-8-10-17-11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15,17H,4-12H2,1-3H3
InChIKeyARJIYAVMHJLTCT-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone (CID 60806605) is 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone is CCN(CC(=O)N1C(C)CCCC1C)C1CCNCC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone?
The InChIKey is ARJIYAVMHJLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-18(15-8-10-17-11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 60806605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).