3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol

C23H31NO4 — CID 16746303

IUPAC3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
SMILESCOc1ccc(C(CCN2CCCCC2)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C23H31NO4/c1-26-18-9-7-17(8-10-18)20(11-14-24-12-5-4-6-13-24)23-21(25)15-19(27-2)16-22(23)28-3/h7-10,15-16,20,25H,4-6,11-14H2,1-3H3
InChIKeyGGQWKKHLNJYCQA-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.43
Rot. Bonds8

About 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol

3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol (PubChem CID 16746303) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
PubChem CID16746303
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
SMILESCOc1ccc(C(CCN2CCCCC2)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C23H31NO4/c1-26-18-9-7-17(8-10-18)20(11-14-24-12-5-4-6-13-24)23-21(25)15-19(27-2)16-22(23)28-3/h7-10,15-16,20,25H,4-6,11-14H2,1-3H3
InChIKeyGGQWKKHLNJYCQA-UHFFFAOYSA-N
XLogP4.43
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-phenylchromen-2-one
CID 16746296
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746340
5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-pentylchromen-2-one
CID 16746323
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
CID 46231083
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl]benzenesulfonic acid
CID 71510419
3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one
CID 71509434
2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl]benzamide
CID 71510421
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 53390269
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol (CID 16746303) is 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol is COc1ccc(C(CCN2CCCCC2)c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol?
The InChIKey is GGQWKKHLNJYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-26-18-9-7-17(8-10-18)20(11-14-24-12-5-4-6-13-24)23-21(25)15-19(27-2)16-22(23)28-3/h7-10,15-16,20,25H,4-6,11-14H2,1-3H3.
What are the key properties of 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol?
3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol has a molecular weight of 385.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol is sourced from PubChem (CID 16746303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).