1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine

C22H25N3 — CID 6416576

IUPAC1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCCC(C)C3)c3ccccc23)cc1C
InChIInChI=1S/C22H25N3/c1-15-7-6-12-25(14-15)22-20-9-5-4-8-19(20)21(23-24-22)18-11-10-16(2)17(3)13-18/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyRZRRBFWEYZNRGM-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.15
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine

1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine (PubChem CID 6416576) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
PubChem CID6416576
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCCC(C)C3)c3ccccc23)cc1C
InChIInChI=1S/C22H25N3/c1-15-7-6-12-25(14-15)22-20-9-5-4-8-19(20)21(23-24-22)18-11-10-16(2)17(3)13-18/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyRZRRBFWEYZNRGM-UHFFFAOYSA-N
XLogP5.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethylphenyl)phthalazine
CID 6408766
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
3-(3,4-dimethylphenyl)sulfonyl-5-[(3R)-3-methylpiperidin-1-yl]triazolo[1,5-a]quinazoline
CID 2151700
2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
CID 6418527
1-(3-methylpiperidin-1-yl)isoquinoline-4-carboxylic acid
CID 106766485
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550929
1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide
CID 75452882
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60603585
1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 899502

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine (CID 6416576) is 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine is Cc1ccc(-c2nnc(N3CCCC(C)C3)c3ccccc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine?
The InChIKey is RZRRBFWEYZNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-15-7-6-12-25(14-15)22-20-9-5-4-8-19(20)21(23-24-22)18-11-10-16(2)17(3)13-18/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine?
1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine has a molecular weight of 331.46 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 6416576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).