1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone

C15H28N2O2 — CID 94513032

IUPAC1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O2/c1-12-5-4-6-13(2)17(12)15(18)11-16-9-7-14(19-3)8-10-16/h12-14H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyHXRLCHLIDFFHKN-CHWSQXEVSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds3

About 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 94513032) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID94513032
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O2/c1-12-5-4-6-13(2)17(12)15(18)11-16-9-7-14(19-3)8-10-16/h12-14H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyHXRLCHLIDFFHKN-CHWSQXEVSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 94632422
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 114961096
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119927631
1-(4-methoxypiperidin-1-yl)pentan-2-one
CID 62043112
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 171833651
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone (CID 94513032) is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is HXRLCHLIDFFHKN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-5-4-6-13(2)17(12)15(18)11-16-9-7-14(19-3)8-10-16/h12-14H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone?
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 94513032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).