2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine

C20H41N3O — CID 159155477

IUPAC2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCCC(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C
InChIInChI=1S/C10H22N2.C10H19NO/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-7-5-6-9(12)10(11,3)4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyKJVJKNQZQIBMPB-UHFFFAOYSA-N
MW339.57 g/mol
LogP3.26
Rot. Bonds2

About 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine

2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine (PubChem CID 159155477) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine
PubChem CID159155477
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCCC(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C
InChIInChI=1S/C10H22N2.C10H19NO/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-7-5-6-9(12)10(11,3)4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyKJVJKNQZQIBMPB-UHFFFAOYSA-N
XLogP3.26
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine with MolForge

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Related Compounds

1,3'-Bipiperidinium, 4'-oxo-1,1',1',3',6'-pentamethyl-, diiodide
CID 11681
1,1,2,5-Tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
CID 11682
1,2,5-Trimethyl-5-piperidin-1-ylpiperidin-4-one
CID 11695
5-(Diethylamino)-1,2,5-trimethylpiperidin-4-one
CID 120747
2-[(Dipropylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53686199
2-[(Dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53795112
6-(4-Tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one
CID 58055842
1-(1-Tert-butyl-4-piperidin-1-ylpiperidin-4-yl)ethanone
CID 59014298
1,7-ditert-butyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one
CID 59067688
1,7-ditert-butyl-3,4,4a,6,8,8a-hexahydro-2H-1,7-naphthyridin-5-one
CID 59996896
4,5-Dimethyl-3,4-bis(4-propan-2-ylpiperidin-1-yl)hexan-2-one
CID 70617722
6-Methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one
CID 70617723

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine (CID 159155477) is 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine is CC(C)N1CCCC(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine?
The InChIKey is KJVJKNQZQIBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H19NO/c1-9(2)12-7-6-11(5)8-10(12,3)4;1-8(2)11-7-5-6-9(12)10(11,3)4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine?
2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine has a molecular weight of 339.57 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-ylpiperidin-3-one;2,2,4-trimethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 159155477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).