1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine

C19H21N5O — CID 154581188

IUPAC1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
SMILESCc1nnc(N2CCC(COc3cnccn3)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(23-22-14)24-10-6-15(7-11-24)13-25-18-12-20-8-9-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyBOSRFDASKFRIJY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds4

About 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine

1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine (PubChem CID 154581188) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine.

Molecular Properties

Compound Name1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
PubChem CID154581188
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
SMILESCc1nnc(N2CCC(COc3cnccn3)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(23-22-14)24-10-6-15(7-11-24)13-25-18-12-20-8-9-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyBOSRFDASKFRIJY-UHFFFAOYSA-N
XLogP3.02
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine?
The IUPAC name of 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine (CID 154581188) is 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine.
What is the SMILES notation for 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine?
The canonical SMILES for 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine is Cc1nnc(N2CCC(COc3cnccn3)CC2)c2ccccc12.
What is the InChIKey of 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine?
The InChIKey is BOSRFDASKFRIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(23-22-14)24-10-6-15(7-11-24)13-25-18-12-20-8-9-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3.
What are the key properties of 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine?
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine has a molecular weight of 335.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine is sourced from PubChem (CID 154581188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).