(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone

C15H22N2O — CID 62332096

IUPAC(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)ccc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C15H22N2O/c1-10-6-7-17(12(3)8-10)15(18)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,16H2,1-3H3
InChIKeyWDEKDVQQBYHBHS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds1

About (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone

(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62332096) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID62332096
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)ccc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C15H22N2O/c1-10-6-7-17(12(3)8-10)15(18)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,16H2,1-3H3
InChIKeyWDEKDVQQBYHBHS-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 62330190
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107872673
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 103871145
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone
CID 65310492
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 62332096) is (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone is Cc1cc(N)ccc1C(=O)N1CCC(C)CC1C.
What is the InChIKey of (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is WDEKDVQQBYHBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-7-17(12(3)8-10)15(18)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,16H2,1-3H3.
What are the key properties of (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62332096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).