5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol

C22H25N3O — CID 170226442

IUPAC5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(C(C)C3CCCNC3)c3ccccc23)c(O)c1
InChIInChI=1S/C22H25N3O/c1-14-9-10-19(20(26)12-14)22-18-8-4-3-7-17(18)21(24-25-22)15(2)16-6-5-11-23-13-16/h3-4,7-10,12,15-16,23,26H,5-6,11,13H2,1-2H3
InChIKeyKZBROCQDEXWHEQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.41
Rot. Bonds3

About 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol

5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol (PubChem CID 170226442) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol
PubChem CID170226442
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(C(C)C3CCCNC3)c3ccccc23)c(O)c1
InChIInChI=1S/C22H25N3O/c1-14-9-10-19(20(26)12-14)22-18-8-4-3-7-17(18)21(24-25-22)15(2)16-6-5-11-23-13-16/h3-4,7-10,12,15-16,23,26H,5-6,11,13H2,1-2H3
InChIKeyKZBROCQDEXWHEQ-UHFFFAOYSA-N
XLogP4.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol?
The IUPAC name of 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol (CID 170226442) is 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol.
What is the SMILES notation for 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol?
The canonical SMILES for 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol is Cc1ccc(-c2nnc(C(C)C3CCCNC3)c3ccccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol?
The InChIKey is KZBROCQDEXWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-9-10-19(20(26)12-14)22-18-8-4-3-7-17(18)21(24-25-22)15(2)16-6-5-11-23-13-16/h3-4,7-10,12,15-16,23,26H,5-6,11,13H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol?
5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol has a molecular weight of 347.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1-piperidin-3-ylethyl)phthalazin-1-yl]phenol is sourced from PubChem (CID 170226442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).