1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one

C18H36N2O — CID 83995119

IUPAC1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)C1CC(NCC(C)(C)C)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-13(2)14-9-15(19-12-17(3,4)5)11-20(10-14)16(21)18(6,7)8/h13-15,19H,9-12H2,1-8H3
InChIKeyRYSPANMTQFJBRZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.54
Rot. Bonds3

About 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83995119) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83995119
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)C1CC(NCC(C)(C)C)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-13(2)14-9-15(19-12-17(3,4)5)11-20(10-14)16(21)18(6,7)8/h13-15,19H,9-12H2,1-8H3
InChIKeyRYSPANMTQFJBRZ-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991687
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690
1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83990412
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
N-(1-propanoyl-5-propan-2-ylpiperidin-3-yl)acetamide
CID 112541818
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83995119) is 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)C1CC(NCC(C)(C)C)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RYSPANMTQFJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-13(2)14-9-15(19-12-17(3,4)5)11-20(10-14)16(21)18(6,7)8/h13-15,19H,9-12H2,1-8H3.
What are the key properties of 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 296.50 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83995119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).