(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone

C16H24N2O — CID 115276339

IUPAC(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC(N)CCC2(C)C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)14(9-11)15(19)18-10-13(17)7-8-16(18,3)4/h5-6,9,13H,7-8,10,17H2,1-4H3
InChIKeyRKWVYQSWKHJFLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds1

About (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone

(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 115276339) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
PubChem CID115276339
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC(N)CCC2(C)C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)14(9-11)15(19)18-10-13(17)7-8-16(18,3)4/h5-6,9,13H,7-8,10,17H2,1-4H3
InChIKeyRKWVYQSWKHJFLN-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
CID 115275670
(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 115269514
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 115270727
1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269503
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115269399
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 142424231

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone (CID 115276339) is (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CC(N)CCC2(C)C)c1.
What is the InChIKey of (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is RKWVYQSWKHJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-6-12(2)14(9-11)15(19)18-10-13(17)7-8-16(18,3)4/h5-6,9,13H,7-8,10,17H2,1-4H3.
What are the key properties of (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115276339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).