1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol

C13H20N2O — CID 81098277

IUPAC1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol
SMILESCc1ccc(N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10-3-4-12(11(14)9-10)15-7-5-13(2,16)6-8-15/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeySOZRTNLLOOTQHP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.93
Rot. Bonds1

About 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol

1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol (PubChem CID 81098277) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol
PubChem CID81098277
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol
SMILESCc1ccc(N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10-3-4-12(11(14)9-10)15-7-5-13(2,16)6-8-15/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeySOZRTNLLOOTQHP-UHFFFAOYSA-N
XLogP1.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 107929385
5-methyl-2-piperazin-1-ylaniline
CID 62137468
5-methyl-2-morpholin-4-ylaniline
CID 18952141
2-(2-azaspiro[3.3]heptan-2-yl)-5-methylaniline
CID 79688985
5-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 62992233
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
1-(4-amino-2-iodophenyl)-4-methylazepan-4-ol
CID 107403607
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
CID 167308640
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
CID 61227172

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol (CID 81098277) is 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol is Cc1ccc(N2CCC(C)(O)CC2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol?
The InChIKey is SOZRTNLLOOTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-3-4-12(11(14)9-10)15-7-5-13(2,16)6-8-15/h3-4,9,16H,5-8,14H2,1-2H3.
What are the key properties of 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol?
1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81098277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).