N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine

C21H24N4O — CID 155529434

IUPACN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C21H24N4O/c1-26-17-11-9-16(10-12-17)15-22-20-18-7-3-4-8-19(18)21(24-23-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,23)
InChIKeyRZSVRGACHIFVSJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine

N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine (PubChem CID 155529434) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine
PubChem CID155529434
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C21H24N4O/c1-26-17-11-9-16(10-12-17)15-22-20-18-7-3-4-8-19(18)21(24-23-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,23)
InChIKeyRZSVRGACHIFVSJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine (CID 155529434) is N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine is COc1ccc(CNc2nnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine?
The InChIKey is RZSVRGACHIFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-17-11-9-16(10-12-17)15-22-20-18-7-3-4-8-19(18)21(24-23-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine?
N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine has a molecular weight of 348.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylphthalazin-1-amine is sourced from PubChem (CID 155529434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).