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

C13H20N2O2 — CID 102955530

IUPAC1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
SMILESCOc1cc(N2CCC(C)C(O)C2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-9-5-6-15(8-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3
InChIKeyNULGHMVKDKTZRS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds2

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

1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol (PubChem CID 102955530) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
PubChem CID102955530
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
SMILESCOc1cc(N2CCC(C)C(O)C2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-9-5-6-15(8-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3
InChIKeyNULGHMVKDKTZRS-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol (CID 102955530) is 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol is COc1cc(N2CCC(C)C(O)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol?
The InChIKey is NULGHMVKDKTZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-15(8-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol?
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).