3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one

C18H27NO4 — CID 156745734

IUPAC3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCCCc1c(O)cc(CCC(=O)N2CCCCC2)c(O)c1OC
InChIInChI=1S/C18H27NO4/c1-3-7-14-15(20)12-13(17(22)18(14)23-2)8-9-16(21)19-10-5-4-6-11-19/h12,20,22H,3-11H2,1-2H3
InChIKeyAHKUABNJKUZCEF-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.00
Rot. Bonds6

About 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one

3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 156745734) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID156745734
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCCCc1c(O)cc(CCC(=O)N2CCCCC2)c(O)c1OC
InChIInChI=1S/C18H27NO4/c1-3-7-14-15(20)12-13(17(22)18(14)23-2)8-9-16(21)19-10-5-4-6-11-19/h12,20,22H,3-11H2,1-2H3
InChIKeyAHKUABNJKUZCEF-UHFFFAOYSA-N
XLogP3.00
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
3-(5-amino-2-ethoxy-3-methoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071287
3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 169223305
4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 142657095
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one
CID 123795982
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
1-piperidin-1-yl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3809016
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954647
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one (CID 156745734) is 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one is CCCc1c(O)cc(CCC(=O)N2CCCCC2)c(O)c1OC.
What is the InChIKey of 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is AHKUABNJKUZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-7-14-15(20)12-13(17(22)18(14)23-2)8-9-16(21)19-10-5-4-6-11-19/h12,20,22H,3-11H2,1-2H3.
What are the key properties of 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one?
3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 156745734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).