4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol

C20H25NO2 — CID 15048615

IUPAC4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
SMILESOc1ccc(CC(O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)14-20(23)15-21-12-10-18(11-13-21)17-4-2-1-3-5-17/h1-9,18,20,22-23H,10-15H2
InChIKeyNJHGLBCRCUUJMU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds5

About 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol

4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol (PubChem CID 15048615) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
PubChem CID15048615
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
SMILESOc1ccc(CC(O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)14-20(23)15-21-12-10-18(11-13-21)17-4-2-1-3-5-17/h1-9,18,20,22-23H,10-15H2
InChIKeyNJHGLBCRCUUJMU-UHFFFAOYSA-N
XLogP3.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The IUPAC name of 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol (CID 15048615) is 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The canonical SMILES for 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol is Oc1ccc(CC(O)CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The InChIKey is NJHGLBCRCUUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)14-20(23)15-21-12-10-18(11-13-21)17-4-2-1-3-5-17/h1-9,18,20,22-23H,10-15H2.
What are the key properties of 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol is sourced from PubChem (CID 15048615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).