1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol

C13H19NO3 — CID 2845869

IUPAC1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)CC2)c(O)c1
InChIInChI=1S/C13H19NO3/c1-17-12-3-2-10(13(16)8-12)9-14-6-4-11(15)5-7-14/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyJCZGPEPLMRLJFL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds3

About 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol

1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 2845869) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID2845869
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)CC2)c(O)c1
InChIInChI=1S/C13H19NO3/c1-17-12-3-2-10(13(16)8-12)9-14-6-4-11(15)5-7-14/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyJCZGPEPLMRLJFL-UHFFFAOYSA-N
XLogP1.36
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
5-methoxy-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol
CID 82979792
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-ol
CID 7445212
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65065652

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol (CID 2845869) is 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol is COc1ccc(CN2CCC(O)CC2)c(O)c1.
What is the InChIKey of 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is JCZGPEPLMRLJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-12-3-2-10(13(16)8-12)9-14-6-4-11(15)5-7-14/h2-3,8,11,15-16H,4-7,9H2,1H3.
What are the key properties of 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol?
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 237.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 2845869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).