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

C20H26N2O2 — CID 70046120

IUPAC4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol
SMILESOc1ccc(NCCN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c23-19-8-6-18(7-9-19)21-12-15-22-13-10-20(24,11-14-22)16-17-4-2-1-3-5-17/h1-9,21,23-24H,10-16H2
InChIKeyKALDRKLUHFBKFH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds6

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

4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol (PubChem CID 70046120) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol
PubChem CID70046120
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol
SMILESOc1ccc(NCCN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c23-19-8-6-18(7-9-19)21-12-15-22-13-10-20(24,11-14-22)16-17-4-2-1-3-5-17/h1-9,21,23-24H,10-16H2
InChIKeyKALDRKLUHFBKFH-UHFFFAOYSA-N
XLogP2.87
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol?
The IUPAC name of 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol (CID 70046120) is 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol is Oc1ccc(NCCN2CCC(O)(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol?
The InChIKey is KALDRKLUHFBKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-8-6-18(7-9-19)21-12-15-22-13-10-20(24,11-14-22)16-17-4-2-1-3-5-17/h1-9,21,23-24H,10-16H2.
What are the key properties of 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol?
4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol has a molecular weight of 326.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol is sourced from PubChem (CID 70046120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).