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

C14H17N3 — CID 2999531

IUPAC1-(4-methylpiperidin-1-yl)phthalazine
SMILESCC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3/c1-11-6-8-17(9-7-11)14-13-5-3-2-4-12(13)10-15-16-14/h2-5,10-11H,6-9H2,1H3
InChIKeyJCAGFOMFEBEORI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds1

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

1-(4-methylpiperidin-1-yl)phthalazine (PubChem CID 2999531) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)phthalazine
PubChem CID2999531
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(4-methylpiperidin-1-yl)phthalazine
SMILESCC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3/c1-11-6-8-17(9-7-11)14-13-5-3-2-4-12(13)10-15-16-14/h2-5,10-11H,6-9H2,1H3
InChIKeyJCAGFOMFEBEORI-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
1-Chloro-4-piperidin-1-yl-phthalazine
CID 768785
1-(4-Ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
CID 6400979
1-Methyl-4-(piperidin-1-yl)phthalazine
CID 658368
1-Benzyl-4-piperidinophthalazine
CID 3094226
1-(3,4-Dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazine
CID 6401129
1-(4-Methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
CID 6409081
2-Butyl-1-phthalazin-1-ylguanidine
CID 12785697
1-(4-Methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
1-(4-Methylpiperazin-1-yl)phthalazine;hydrochloride
CID 45264843
3-(4-Methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride
CID 45264904
1-(4-Ethylpiperazin-1-yl)-4-phenylphthalazine
CID 6401093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)phthalazine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)phthalazine (CID 2999531) is 1-(4-methylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)phthalazine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)phthalazine is CC1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)phthalazine?
The InChIKey is JCAGFOMFEBEORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-6-8-17(9-7-11)14-13-5-3-2-4-12(13)10-15-16-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)phthalazine?
1-(4-methylpiperidin-1-yl)phthalazine has a molecular weight of 227.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 2999531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).