1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol

C13H20N2O2 — CID 81148745

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1cc(N)cc(CN2CCC(O)CC2)c1
InChIInChI=1S/C13H20N2O2/c1-17-13-7-10(6-11(14)8-13)9-15-4-2-12(16)3-5-15/h6-8,12,16H,2-5,9,14H2,1H3
InChIKeyBIIDHHJUEOPVIR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds3

About 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol

1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 81148745) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID81148745
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1cc(N)cc(CN2CCC(O)CC2)c1
InChIInChI=1S/C13H20N2O2/c1-17-13-7-10(6-11(14)8-13)9-15-4-2-12(16)3-5-15/h6-8,12,16H,2-5,9,14H2,1H3
InChIKeyBIIDHHJUEOPVIR-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
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-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol (CID 81148745) is 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol is COc1cc(N)cc(CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is BIIDHHJUEOPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13-7-10(6-11(14)8-13)9-15-4-2-12(16)3-5-15/h6-8,12,16H,2-5,9,14H2,1H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol?
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 81148745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).