4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol

C18H19N3O2 — CID 10425439

IUPAC4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cc4ncccc4o3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c22-15-5-3-14(4-6-15)21-10-8-20(9-11-21)13-16-12-17-18(23-16)2-1-7-19-17/h1-7,12,22H,8-11,13H2
InChIKeyGMXJZSVUZMUKHU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds3

About 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol

4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol (PubChem CID 10425439) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol
PubChem CID10425439
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cc4ncccc4o3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c22-15-5-3-14(4-6-15)21-10-8-20(9-11-21)13-16-12-17-18(23-16)2-1-7-19-17/h1-7,12,22H,8-11,13H2
InChIKeyGMXJZSVUZMUKHU-UHFFFAOYSA-N
XLogP2.86
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol (CID 10425439) is 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3cc4ncccc4o3)CC2)cc1.
What is the InChIKey of 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is GMXJZSVUZMUKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-15-5-3-14(4-6-15)21-10-8-20(9-11-21)13-16-12-17-18(23-16)2-1-7-19-17/h1-7,12,22H,8-11,13H2.
What are the key properties of 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol?
4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 309.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 10425439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).