1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine

C22H23ClN4 — CID 134471580

IUPAC1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine
SMILESClc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)c3ccccc23)cc1
InChIInChI=1S/C22H23ClN4/c23-18-9-7-17(8-10-18)21-19-3-1-2-4-20(19)22(25-24-21)27-13-11-26(12-14-27)15-16-5-6-16/h1-4,7-10,16H,5-6,11-15H2
InChIKeyPGGHVKIZWJMZBV-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.48
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine

1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine (PubChem CID 134471580) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine
PubChem CID134471580
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine
SMILESClc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)c3ccccc23)cc1
InChIInChI=1S/C22H23ClN4/c23-18-9-7-17(8-10-18)21-19-3-1-2-4-20(19)22(25-24-21)27-13-11-26(12-14-27)15-16-5-6-16/h1-4,7-10,16H,5-6,11-15H2
InChIKeyPGGHVKIZWJMZBV-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-2-methylpropanoate
CID 134470812
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
3-amino-4-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 134470834
(2S,3S)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 134470871
2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-N-ethyl-4-methylpent-1-en-3-amine
CID 134471397
[(2S)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 46891165
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
tert-butyl N-[2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142744156
1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine
CID 134470827
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031
4-(4-chlorophenyl)phthalazin-1-olate
CID 143625542

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine (CID 134471580) is 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine is Clc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine?
The InChIKey is PGGHVKIZWJMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c23-18-9-7-17(8-10-18)21-19-3-1-2-4-20(19)22(25-24-21)27-13-11-26(12-14-27)15-16-5-6-16/h1-4,7-10,16H,5-6,11-15H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine?
1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine has a molecular weight of 378.91 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 134471580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).