2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

C11H21NO — CID 40543342

IUPAC2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-9-6-5-7-12(8-9)10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyXZEROKBYBIJQBT-VIFPVBQESA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds

About 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 40543342) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID40543342
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-9-6-5-7-12(8-9)10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyXZEROKBYBIJQBT-VIFPVBQESA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
3-methylpiperidine-1-carboxylic acid
CID 22047728
1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108520535
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
3-methylpiperidine-1-carboxamide
CID 16786142

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (CID 40543342) is 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is C[C@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is XZEROKBYBIJQBT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO/c1-9-6-5-7-12(8-9)10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 40543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).