2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one

C11H21NO — CID 10464981

IUPAC2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one
SMILESCN1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)9-7-5-6-8-12(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYOZJLPVBTCHQJP-VIFPVBQESA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds1

About 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one

2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one (PubChem CID 10464981) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one
PubChem CID10464981
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one
SMILESCN1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)9-7-5-6-8-12(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYOZJLPVBTCHQJP-VIFPVBQESA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one (CID 10464981) is 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one is CN1CCCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one?
The InChIKey is YOZJLPVBTCHQJP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)10(13)9-7-5-6-8-12(9)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one?
2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one is sourced from PubChem (CID 10464981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).