1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol

C18H21NO3 — CID 22127210

IUPAC1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
SMILESOc1ccc(C2C(O)CN(Cc3ccccc3)CC2O)cc1
InChIInChI=1S/C18H21NO3/c20-15-8-6-14(7-9-15)18-16(21)11-19(12-17(18)22)10-13-4-2-1-3-5-13/h1-9,16-18,20-22H,10-12H2
InChIKeyVRDCYBFNTBGXTL-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.71
Rot. Bonds3

About 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol

1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol (PubChem CID 22127210) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol.

Molecular Properties

Compound Name1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
PubChem CID22127210
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
SMILESOc1ccc(C2C(O)CN(Cc3ccccc3)CC2O)cc1
InChIInChI=1S/C18H21NO3/c20-15-8-6-14(7-9-15)18-16(21)11-19(12-17(18)22)10-13-4-2-1-3-5-13/h1-9,16-18,20-22H,10-12H2
InChIKeyVRDCYBFNTBGXTL-UHFFFAOYSA-N
XLogP1.71
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-benzyl-4-phenylpyrrolidin-3-ol
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2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
CID 71038902
(3S,4S,5S)-1-benzyl-4-(4-methoxyphenyl)-5-(trityloxymethyl)piperidin-3-ol
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(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
1-benzyl-3,5-dimethyl-4-phenylpiperidine
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4-[[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methylsulfanyl]phenol
CID 126687343
1-benzyl-4-ethylpyrrolidin-3-ol
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CID 5136126
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol?
The IUPAC name of 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol (CID 22127210) is 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol.
What is the SMILES notation for 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol?
The canonical SMILES for 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol is Oc1ccc(C2C(O)CN(Cc3ccccc3)CC2O)cc1.
What is the InChIKey of 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol?
The InChIKey is VRDCYBFNTBGXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-15-8-6-14(7-9-15)18-16(21)11-19(12-17(18)22)10-13-4-2-1-3-5-13/h1-9,16-18,20-22H,10-12H2.
What are the key properties of 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol?
1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol has a molecular weight of 299.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol is sourced from PubChem (CID 22127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).