1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine

C20H20ClN3 — CID 134470827

IUPAC1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine
SMILESCN1CCC(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H20ClN3/c1-24-12-10-15(11-13-24)20-18-5-3-2-4-17(18)19(22-23-20)14-6-8-16(21)9-7-14/h2-9,15H,10-13H2,1H3
InChIKeyORTYPCKFAMCFMN-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.76
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine

1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine (PubChem CID 134470827) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine
PubChem CID134470827
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine
SMILESCN1CCC(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H20ClN3/c1-24-12-10-15(11-13-24)20-18-5-3-2-4-17(18)19(22-23-20)14-6-8-16(21)9-7-14/h2-9,15H,10-13H2,1H3
InChIKeyORTYPCKFAMCFMN-UHFFFAOYSA-N
XLogP4.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine (CID 134470827) is 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine is CN1CCC(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine?
The InChIKey is ORTYPCKFAMCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-24-12-10-15(11-13-24)20-18-5-3-2-4-17(18)19(22-23-20)14-6-8-16(21)9-7-14/h2-9,15H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine?
1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine has a molecular weight of 337.85 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine is sourced from PubChem (CID 134470827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).