4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol

C20H25NO3 — CID 10336570

IUPAC4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol
SMILESOc1ccc(C(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3/c22-18-8-6-17(7-9-18)19(23)15-21-12-10-20(24,11-13-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2
InChIKeyJOXQARHLDJQRMY-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.50
Rot. Bonds5

About 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol

4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol (PubChem CID 10336570) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol
PubChem CID10336570
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol
SMILESOc1ccc(C(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3/c22-18-8-6-17(7-9-18)19(23)15-21-12-10-20(24,11-13-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2
InChIKeyJOXQARHLDJQRMY-UHFFFAOYSA-N
XLogP2.50
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol (CID 10336570) is 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol is Oc1ccc(C(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol?
The InChIKey is JOXQARHLDJQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-18-8-6-17(7-9-18)19(23)15-21-12-10-20(24,11-13-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2.
What are the key properties of 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol?
4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol has a molecular weight of 327.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 10336570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).