1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine

C19H18Cl2N4 — CID 135165515

IUPAC1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine
SMILESClc1cc2c(Cc3ccccc3)nnc(N3CCNCC3)c2cc1Cl
InChIInChI=1S/C19H18Cl2N4/c20-16-11-14-15(12-17(16)21)19(25-8-6-22-7-9-25)24-23-18(14)10-13-4-2-1-3-5-13/h1-5,11-12,22H,6-10H2
InChIKeyKBUZTNFUJZXVFY-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.94
Rot. Bonds3

About 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine

1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine (PubChem CID 135165515) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine.

Molecular Properties

Compound Name1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine
PubChem CID135165515
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine
SMILESClc1cc2c(Cc3ccccc3)nnc(N3CCNCC3)c2cc1Cl
InChIInChI=1S/C19H18Cl2N4/c20-16-11-14-15(12-17(16)21)19(25-8-6-22-7-9-25)24-23-18(14)10-13-4-2-1-3-5-13/h1-5,11-12,22H,6-10H2
InChIKeyKBUZTNFUJZXVFY-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-benzyl-6,7-dichlorophthalazin-1-yl)piperazin-1-yl]prop-2-en-1-one;1-benzyl-6,7-dichloro-4-piperidin-1-ylphthalazine;methane;1,4,6,7-tetrachlorophthalazine
CID 158156310
1-benzyl-4-(4-phenylpiperidin-1-yl)phthalazine
CID 25066929
1-benzyl-4-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]phthalazine
CID 25065067
1-[4-[7-(3-amino-2-methanimidoyl-6-methylphenyl)-4-benzyl-6-chlorophthalazin-1-yl]piperazin-1-yl]prop-2-en-1-one
CID 142388417
4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]benzoic acid
CID 25066931
1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 70693472
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
1-[4-[4-benzyl-7-chloro-6-(5-methyl-1H-indol-4-yl)phthalazin-1-yl]piperazin-1-yl]prop-2-en-1-one
CID 164784535
1-piperidin-1-yl-4-(pyridin-4-ylmethyl)phthalazine
CID 20875743
1-(4-benzylphenyl)piperazine
CID 4738749
1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine
CID 123615357
5-benzyl-2-piperazin-1-ylbenzonitrile
CID 67676731

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine?
The IUPAC name of 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine (CID 135165515) is 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine.
What is the SMILES notation for 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine?
The canonical SMILES for 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine is Clc1cc2c(Cc3ccccc3)nnc(N3CCNCC3)c2cc1Cl.
What is the InChIKey of 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine?
The InChIKey is KBUZTNFUJZXVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c20-16-11-14-15(12-17(16)21)19(25-8-6-22-7-9-25)24-23-18(14)10-13-4-2-1-3-5-13/h1-5,11-12,22H,6-10H2.
What are the key properties of 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine?
1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine has a molecular weight of 373.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dichloro-4-piperazin-1-ylphthalazine is sourced from PubChem (CID 135165515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).