1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine

C19H20N4 — CID 20875743

IUPAC1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine
SMILESc1ccc2c(N3CCCCC3)nnc(Cc3ccncc3)c2c1
InChIInChI=1S/C19H20N4/c1-4-12-23(13-5-1)19-17-7-3-2-6-16(17)18(21-22-19)14-15-8-10-20-11-9-15/h2-3,6-11H,1,4-5,12-14H2
InChIKeyCYSIDVDTOCSTOF-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.61
Rot. Bonds3

About 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine

1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine (PubChem CID 20875743) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine.

Molecular Properties

Compound Name1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine
PubChem CID20875743
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine
SMILESc1ccc2c(N3CCCCC3)nnc(Cc3ccncc3)c2c1
InChIInChI=1S/C19H20N4/c1-4-12-23(13-5-1)19-17-7-3-2-6-16(17)18(21-22-19)14-15-8-10-20-11-9-15/h2-3,6-11H,1,4-5,12-14H2
InChIKeyCYSIDVDTOCSTOF-UHFFFAOYSA-N
XLogP3.61
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine?
The IUPAC name of 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine (CID 20875743) is 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine.
What is the SMILES notation for 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine?
The canonical SMILES for 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine is c1ccc2c(N3CCCCC3)nnc(Cc3ccncc3)c2c1.
What is the InChIKey of 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine?
The InChIKey is CYSIDVDTOCSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-4-12-23(13-5-1)19-17-7-3-2-6-16(17)18(21-22-19)14-15-8-10-20-11-9-15/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine?
1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine has a molecular weight of 304.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine is sourced from PubChem (CID 20875743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).