1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol

C17H20N2O2 — CID 73356513

IUPAC1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
SMILESOc1ccccc1CN1CCCCC1(O)c1cccnc1
InChIInChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2
InChIKeyBBKITNAKQHKIJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol

1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol (PubChem CID 73356513) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
PubChem CID73356513
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
SMILESOc1ccccc1CN1CCCCC1(O)c1cccnc1
InChIInChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2
InChIKeyBBKITNAKQHKIJO-UHFFFAOYSA-N
XLogP2.62
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol (CID 73356513) is 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol is Oc1ccccc1CN1CCCCC1(O)c1cccnc1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol?
The InChIKey is BBKITNAKQHKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol?
1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol has a molecular weight of 284.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol is sourced from PubChem (CID 73356513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).