1-(4-amino-3-methylphenyl)piperidin-3-ol

C12H18N2O — CID 43502899

IUPAC1-(4-amino-3-methylphenyl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)ccc1N
InChIInChI=1S/C12H18N2O/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8,13H2,1H3
InChIKeyMWZPGLQPCFMWEC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds1

About 1-(4-amino-3-methylphenyl)piperidin-3-ol

1-(4-amino-3-methylphenyl)piperidin-3-ol (PubChem CID 43502899) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)piperidin-3-ol
PubChem CID43502899
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-amino-3-methylphenyl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)ccc1N
InChIInChI=1S/C12H18N2O/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8,13H2,1H3
InChIKeyMWZPGLQPCFMWEC-UHFFFAOYSA-N
XLogP1.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-3-methylphenyl)piperidin-3-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

1-(4-amino-3-methylphenyl)azepan-4-ol
CID 23103827
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]aniline
CID 59401888
[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]-(diaminomethylidene)azanium
CID 23132187
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
CID 123879293
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
CID 143794435

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)piperidin-3-ol?
The IUPAC name of 1-(4-amino-3-methylphenyl)piperidin-3-ol (CID 43502899) is 1-(4-amino-3-methylphenyl)piperidin-3-ol.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)piperidin-3-ol?
The canonical SMILES for 1-(4-amino-3-methylphenyl)piperidin-3-ol is Cc1cc(N2CCCC(O)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)piperidin-3-ol?
The InChIKey is MWZPGLQPCFMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8,13H2,1H3.
What are the key properties of 1-(4-amino-3-methylphenyl)piperidin-3-ol?
1-(4-amino-3-methylphenyl)piperidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)piperidin-3-ol is sourced from PubChem (CID 43502899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).