1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine

C18H24N4 — CID 155230081

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
SMILESc1ccc2c(N3CCC(N4CCCCC4)CC3)nncc2c1
InChIInChI=1S/C18H24N4/c1-4-10-21(11-5-1)16-8-12-22(13-9-16)18-17-7-3-2-6-15(17)14-19-20-18/h2-3,6-7,14,16H,1,4-5,8-13H2
InChIKeyDDCQBBQEMGCOMI-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.08
Rot. Bonds2

About 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine

1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine (PubChem CID 155230081) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
PubChem CID155230081
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
SMILESc1ccc2c(N3CCC(N4CCCCC4)CC3)nncc2c1
InChIInChI=1S/C18H24N4/c1-4-10-21(11-5-1)16-8-12-22(13-9-16)18-17-7-3-2-6-15(17)14-19-20-18/h2-3,6-7,14,16H,1,4-5,8-13H2
InChIKeyDDCQBBQEMGCOMI-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine (CID 155230081) is 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine is c1ccc2c(N3CCC(N4CCCCC4)CC3)nncc2c1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine?
The InChIKey is DDCQBBQEMGCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-4-10-21(11-5-1)16-8-12-22(13-9-16)18-17-7-3-2-6-15(17)14-19-20-18/h2-3,6-7,14,16H,1,4-5,8-13H2.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine?
1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine has a molecular weight of 296.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 155230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).