(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone

C17H26N2O — CID 62091780

IUPAC(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C17H26N2O/c1-12-6-5-7-14(15(12)18)16(20)19-10-8-13(9-11-19)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3
InChIKeyZSOGSANCQZTSPD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds1

About (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone

(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62091780) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62091780
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C17H26N2O/c1-12-6-5-7-14(15(12)18)16(20)19-10-8-13(9-11-19)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3
InChIKeyZSOGSANCQZTSPD-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936838
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
2-amino-3-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 115545789

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62091780) is (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCC(C(C)(C)C)CC2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is ZSOGSANCQZTSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-5-7-14(15(12)18)16(20)19-10-8-13(9-11-19)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3.
What are the key properties of (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62091780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).