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

Name: 1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁N₅O — CID 154581188

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
PubChem CID	154581188
Molecular Formula	C₁₉H₂₁N₅O
Molecular Weight	335.41 g/mol
Exact Mass	335.17
IUPAC Name	1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
SMILES	Cc1nnc(N2CCC(COc3cnccn3)CC2)c2ccccc12
InChI	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
InChIKey	BOSRFDASKFRIJY-UHFFFAOYSA-N
XLogP	3.02
TPSA	64.03 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.41
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 154581188 — identifiers, structure, computed properties (public domain)

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