1-methyl-4-piperidin-1-ylphthalazine

C14H17N3 — CID 658368

IUPAC1-methyl-4-piperidin-1-ylphthalazine
SMILESCc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C14H17N3/c1-11-12-7-3-4-8-13(12)14(16-15-11)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyHBEIWQYSNGCUDK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.93
Rot. Bonds1

About 1-methyl-4-piperidin-1-ylphthalazine

1-methyl-4-piperidin-1-ylphthalazine (PubChem CID 658368) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylphthalazine.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylphthalazine
PubChem CID658368
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-methyl-4-piperidin-1-ylphthalazine
SMILESCc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C14H17N3/c1-11-12-7-3-4-8-13(12)14(16-15-11)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyHBEIWQYSNGCUDK-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanol
CID 3155245
N-benzyl-4-methylphthalazin-1-amine
CID 6401675
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
CID 6404568
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2953198
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
CID 2952514
1-(4-Methylphenyl)-4-(4-methylsulfonylpiperazin-1-yl)phthalazine
CID 2952321
N-benzyl-4-(4-methylphenyl)phthalazin-1-amine
CID 6401678
4-[4-(3,4-Difluorophenyl)phthalazin-1-yl]morpholine
CID 2333510
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
4-methyl-N-(2-phenylethyl)phthalazin-1-amine
CID 6416438
2-[(4-Methyl-1-phthalazinyl)amino]ethanol
CID 6408686

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylphthalazine?
The IUPAC name of 1-methyl-4-piperidin-1-ylphthalazine (CID 658368) is 1-methyl-4-piperidin-1-ylphthalazine.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylphthalazine?
The canonical SMILES for 1-methyl-4-piperidin-1-ylphthalazine is Cc1nnc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-methyl-4-piperidin-1-ylphthalazine?
The InChIKey is HBEIWQYSNGCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-12-7-3-4-8-13(12)14(16-15-11)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 1-methyl-4-piperidin-1-ylphthalazine?
1-methyl-4-piperidin-1-ylphthalazine has a molecular weight of 227.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylphthalazine is sourced from PubChem (CID 658368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).