1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol

C13H20N2O2 — CID 113392759

IUPAC1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
SMILESCOc1cccc(N2CCC(C)(O)CC2)c1N
InChIInChI=1S/C13H20N2O2/c1-13(16)6-8-15(9-7-13)10-4-3-5-11(17-2)12(10)14/h3-5,16H,6-9,14H2,1-2H3
InChIKeyGPPKTZKSBTVNOD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.63
Rot. Bonds2

About 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol

1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol (PubChem CID 113392759) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
PubChem CID113392759
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
SMILESCOc1cccc(N2CCC(C)(O)CC2)c1N
InChIInChI=1S/C13H20N2O2/c1-13(16)6-8-15(9-7-13)10-4-3-5-11(17-2)12(10)14/h3-5,16H,6-9,14H2,1-2H3
InChIKeyGPPKTZKSBTVNOD-UHFFFAOYSA-N
XLogP1.63
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 113392760
2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
CID 113392692
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 113392458
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 112675007
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
2-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)benzonitrile
CID 103355170
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185
2-(4-hydroxy-4-methylpiperidin-1-yl)benzonitrile
CID 81115628

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol (CID 113392759) is 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol is COc1cccc(N2CCC(C)(O)CC2)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol?
The InChIKey is GPPKTZKSBTVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(16)6-8-15(9-7-13)10-4-3-5-11(17-2)12(10)14/h3-5,16H,6-9,14H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol?
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 113392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).