5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol

C18H20N2O2 — CID 44516999

IUPAC5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol
SMILESCOc1ccc(Cc2cncc(C3=NCCCC3)c2)c(O)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-6-5-14(18(21)10-16)8-13-9-15(12-19-11-13)17-4-2-3-7-20-17/h5-6,9-12,21H,2-4,7-8H2,1H3
InChIKeyCQJJQAXLIWNOBP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.36
Rot. Bonds4

About 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol

5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol (PubChem CID 44516999) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol
PubChem CID44516999
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol
SMILESCOc1ccc(Cc2cncc(C3=NCCCC3)c2)c(O)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-6-5-14(18(21)10-16)8-13-9-15(12-19-11-13)17-4-2-3-7-20-17/h5-6,9-12,21H,2-4,7-8H2,1H3
InChIKeyCQJJQAXLIWNOBP-UHFFFAOYSA-N
XLogP3.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol (CID 44516999) is 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol is COc1ccc(Cc2cncc(C3=NCCCC3)c2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol?
The InChIKey is CQJJQAXLIWNOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-6-5-14(18(21)10-16)8-13-9-15(12-19-11-13)17-4-2-3-7-20-17/h5-6,9-12,21H,2-4,7-8H2,1H3.
What are the key properties of 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol?
5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol has a molecular weight of 296.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[5-(2,3,4,5-tetrahydropyridin-6-yl)-3-pyridinyl]methyl]phenol is sourced from PubChem (CID 44516999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).