3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol

C25H35NO6 — CID 16746290

IUPAC3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol
SMILESCOc1cc(O)c(C(CCN2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C25H35NO6/c1-28-18-15-20(27)24(21(16-18)29-2)19(9-12-26-10-7-6-8-11-26)17-13-22(30-3)25(32-5)23(14-17)31-4/h13-16,19,27H,6-12H2,1-5H3
InChIKeyZLDAQCXGVCKEJL-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.44
Rot. Bonds10

About 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol

3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol (PubChem CID 16746290) has the molecular formula C25H35NO6 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol
PubChem CID16746290
Molecular FormulaC25H35NO6
Molecular Weight445.56 g/mol
Exact Mass445.25
IUPAC Name3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol
SMILESCOc1cc(O)c(C(CCN2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C25H35NO6/c1-28-18-15-20(27)24(21(16-18)29-2)19(9-12-26-10-7-6-8-11-26)17-13-22(30-3)25(32-5)23(14-17)31-4/h13-16,19,27H,6-12H2,1-5H3
InChIKeyZLDAQCXGVCKEJL-UHFFFAOYSA-N
XLogP4.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol (CID 16746290) is 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol is COc1cc(O)c(C(CCN2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol?
The InChIKey is ZLDAQCXGVCKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO6/c1-28-18-15-20(27)24(21(16-18)29-2)19(9-12-26-10-7-6-8-11-26)17-13-22(30-3)25(32-5)23(14-17)31-4/h13-16,19,27H,6-12H2,1-5H3.
What are the key properties of 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol?
3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol has a molecular weight of 445.56 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]phenol is sourced from PubChem (CID 16746290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).