1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol

C20H25NO2 — CID 14903438

IUPAC1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
SMILESOCCc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-15-10-17-6-8-19(9-7-17)20(23)11-13-21(14-12-20)16-18-4-2-1-3-5-18/h1-9,22-23H,10-16H2
InChIKeyYQNWVIPVOVXCHM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.70
Rot. Bonds5

About 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol

1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol (PubChem CID 14903438) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
PubChem CID14903438
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
SMILESOCCc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-15-10-17-6-8-19(9-7-17)20(23)11-13-21(14-12-20)16-18-4-2-1-3-5-18/h1-9,22-23H,10-16H2
InChIKeyYQNWVIPVOVXCHM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-[4-hydroxy-3-(hydroxymethoxymethyl)phenyl]piperidin-4-ol
CID 22215143
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
CID 66700957
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
O-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]phenyl] N-phenylcarbamothioate
CID 142996803
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol (CID 14903438) is 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol is OCCc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol?
The InChIKey is YQNWVIPVOVXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-15-10-17-6-8-19(9-7-17)20(23)11-13-21(14-12-20)16-18-4-2-1-3-5-18/h1-9,22-23H,10-16H2.
What are the key properties of 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol?
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol has a molecular weight of 311.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 14903438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).