1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol

C13H20N2O — CID 114677744

IUPAC1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
SMILESCc1cccc(N)c1N1CCC(O)C(C)C1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11(14)13(9)15-7-6-12(16)10(2)8-15/h3-5,10,12,16H,6-8,14H2,1-2H3
InChIKeyBSEZWABUKQJCIQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol

1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol (PubChem CID 114677744) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
PubChem CID114677744
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
SMILESCc1cccc(N)c1N1CCC(O)C(C)C1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11(14)13(9)15-7-6-12(16)10(2)8-15/h3-5,10,12,16H,6-8,14H2,1-2H3
InChIKeyBSEZWABUKQJCIQ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol 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

(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol
CID 106835317
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylaniline
CID 115550494
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylaniline
CID 115550711
2-(azocan-1-yl)-3-methylaniline
CID 115549922
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
CID 114677683
3-methyl-2-piperazin-1-ylaniline
CID 23079646
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol (CID 114677744) is 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol is Cc1cccc(N)c1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol?
The InChIKey is BSEZWABUKQJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-3-5-11(14)13(9)15-7-6-12(16)10(2)8-15/h3-5,10,12,16H,6-8,14H2,1-2H3.
What are the key properties of 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol?
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).