1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one

C12H24N2O — CID 119374050

IUPAC1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(12(2,3)4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyASCKPAGKMJSCGD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one

1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one (PubChem CID 119374050) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
PubChem CID119374050
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(12(2,3)4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyASCKPAGKMJSCGD-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
1-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119934179
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-[3-(1-aminoethyl)azetidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 165475727
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one (CID 119374050) is 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one is CC(C(=O)N1CCC(N)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one?
The InChIKey is ASCKPAGKMJSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(12(2,3)4)11(15)14-7-5-10(13)6-8-14/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one?
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one is sourced from PubChem (CID 119374050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).