[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone

C17H26N2O — CID 103502265

IUPAC[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCNc1ccc(C)cc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-12(2)14-7-9-19(10-8-14)17(20)15-11-13(3)5-6-16(15)18-4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyKIFKWRIDHYIMRY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.54
Rot. Bonds3

About [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone

[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103502265) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103502265
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCNc1ccc(C)cc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-12(2)14-7-9-19(10-8-14)17(20)15-11-13(3)5-6-16(15)18-4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyKIFKWRIDHYIMRY-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62509511
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370710
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone
CID 119518219
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
N-(dicyclopropylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62509943
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
[4-(1-bromoethyl)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 106839238
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 102789296

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103502265) is [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone is CNc1ccc(C)cc1C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is KIFKWRIDHYIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)14-7-9-19(10-8-14)17(20)15-11-13(3)5-6-16(15)18-4/h5-6,11-12,14,18H,7-10H2,1-4H3.
What are the key properties of [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 274.41 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 [5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103502265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).