1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone

C18H20N2O2 — CID 1446476

IUPAC1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H20N2O2/c21-17(13-15-5-2-1-3-6-15)20-11-8-18(22,9-12-20)16-7-4-10-19-14-16/h1-7,10,14,22H,8-9,11-13H2
InChIKeyAPCCTDYWHOLQRR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone

1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone (PubChem CID 1446476) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
PubChem CID1446476
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H20N2O2/c21-17(13-15-5-2-1-3-6-15)20-11-8-18(22,9-12-20)16-7-4-10-19-14-16/h1-7,10,14,22H,8-9,11-13H2
InChIKeyAPCCTDYWHOLQRR-UHFFFAOYSA-N
XLogP2.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone (CID 1446476) is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is APCCTDYWHOLQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(13-15-5-2-1-3-6-15)20-11-8-18(22,9-12-20)16-7-4-10-19-14-16/h1-7,10,14,22H,8-9,11-13H2.
What are the key properties of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 296.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 1446476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).