1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

C15H28N2O2 — CID 94249392

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CN1CCCC[C@@H]1CO
InChIInChI=1S/C15H28N2O2/c1-2-13-7-4-6-10-17(13)15(19)11-16-9-5-3-8-14(16)12-18/h13-14,18H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyIROQJQZPCHLAOD-ZIAGYGMSSA-N
MW268.40 g/mol
LogP1.62
Rot. Bonds4

About 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 94249392) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID94249392
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CN1CCCC[C@@H]1CO
InChIInChI=1S/C15H28N2O2/c1-2-13-7-4-6-10-17(13)15(19)11-16-9-5-3-8-14(16)12-18/h13-14,18H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyIROQJQZPCHLAOD-ZIAGYGMSSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116637297
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110898902
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 94249392) is 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is CC[C@@H]1CCCCN1C(=O)CN1CCCC[C@@H]1CO.
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is IROQJQZPCHLAOD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-13-7-4-6-10-17(13)15(19)11-16-9-5-3-8-14(16)12-18/h13-14,18H,2-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 94249392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).