4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine

C19H21N3O2 — CID 56715036

IUPAC4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine
SMILESCN1CCN(Cc2ccccc2Oc2nccc3occc23)CC1
InChIInChI=1S/C19H21N3O2/c1-21-9-11-22(12-10-21)14-15-4-2-3-5-17(15)24-19-16-7-13-23-18(16)6-8-20-19/h2-8,13H,9-12,14H2,1H3
InChIKeyXJQHKFHEZKZNMF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine

4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine (PubChem CID 56715036) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine
PubChem CID56715036
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine
SMILESCN1CCN(Cc2ccccc2Oc2nccc3occc23)CC1
InChIInChI=1S/C19H21N3O2/c1-21-9-11-22(12-10-21)14-15-4-2-3-5-17(15)24-19-16-7-13-23-18(16)6-8-20-19/h2-8,13H,9-12,14H2,1H3
InChIKeyXJQHKFHEZKZNMF-UHFFFAOYSA-N
XLogP3.37
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine (CID 56715036) is 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine is CN1CCN(Cc2ccccc2Oc2nccc3occc23)CC1.
What is the InChIKey of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine?
The InChIKey is XJQHKFHEZKZNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-9-11-22(12-10-21)14-15-4-2-3-5-17(15)24-19-16-7-13-23-18(16)6-8-20-19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine?
4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 56715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).