3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol

C18H21NO2 — CID 23178412

IUPAC3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccccc1)C1CNCCC1(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c20-17(14-7-3-1-4-8-14)16-13-19-12-11-18(16,21)15-9-5-2-6-10-15/h1-10,16-17,19-21H,11-13H2
InChIKeyPGDMUKCYNQJUTM-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.22
Rot. Bonds3

About 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol

3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol (PubChem CID 23178412) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
PubChem CID23178412
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccccc1)C1CNCCC1(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c20-17(14-7-3-1-4-8-14)16-13-19-12-11-18(16,21)15-9-5-2-6-10-15/h1-10,16-17,19-21H,11-13H2
InChIKeyPGDMUKCYNQJUTM-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol (CID 23178412) is 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol is OC(c1ccccc1)C1CNCCC1(O)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The InChIKey is PGDMUKCYNQJUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(14-7-3-1-4-8-14)16-13-19-12-11-18(16,21)15-9-5-2-6-10-15/h1-10,16-17,19-21H,11-13H2.
What are the key properties of 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol has a molecular weight of 283.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 23178412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).