2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol

C23H31NO3 — CID 42288726

IUPAC2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C23H31NO3/c1-27-21-10-9-20(22(26)16-21)17-24-14-12-23(18-25,13-15-24)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,25-26H,5,8,11-15,17-18H2,1H3
InChIKeyKORYKXOEDOMMJP-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.00
Rot. Bonds8

About 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol

2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol (PubChem CID 42288726) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
PubChem CID42288726
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C23H31NO3/c1-27-21-10-9-20(22(26)16-21)17-24-14-12-23(18-25,13-15-24)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,25-26H,5,8,11-15,17-18H2,1H3
InChIKeyKORYKXOEDOMMJP-UHFFFAOYSA-N
XLogP4.00
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.00
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

[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
1-[3-(aminomethyl)-6-methoxyquinolin-4-yl]-3-[4-(hydroxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]propan-1-ol
CID 22468995
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 42513645
3-amino-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321335
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol (CID 42288726) is 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol is COc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol?
The InChIKey is KORYKXOEDOMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-27-21-10-9-20(22(26)16-21)17-24-14-12-23(18-25,13-15-24)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,25-26H,5,8,11-15,17-18H2,1H3.
What are the key properties of 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol?
2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol has a molecular weight of 369.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol is sourced from PubChem (CID 42288726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).