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

C9H17NO — CID 45086021

IUPAC1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](C)C[C@H]1C
InChIInChI=1S/C9H17NO/c1-7-4-5-10(9(3)11)8(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyGRMSOWHOCAIBAI-HTQZYQBOSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds

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

1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone (PubChem CID 45086021) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone
PubChem CID45086021
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](C)C[C@H]1C
InChIInChI=1S/C9H17NO/c1-7-4-5-10(9(3)11)8(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyGRMSOWHOCAIBAI-HTQZYQBOSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone (CID 45086021) is 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone is CC(=O)N1CC[C@@H](C)C[C@H]1C.
What is the InChIKey of 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone?
The InChIKey is GRMSOWHOCAIBAI-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-5-10(9(3)11)8(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone?
1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 45086021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).