1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine

C17H22N4O — CID 97329750

IUPAC1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
SMILESc1ccc2c(N3CCN(C[C@H]4CCOC4)CC3)nncc2c1
InChIInChI=1S/C17H22N4O/c1-2-4-16-15(3-1)11-18-19-17(16)21-8-6-20(7-9-21)12-14-5-10-22-13-14/h1-4,11,14H,5-10,12-13H2/t14-/m1/s1
InChIKeyVQVZTYPYJZKSKQ-CQSZACIVSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine

1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine (PubChem CID 97329750) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
PubChem CID97329750
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
SMILESc1ccc2c(N3CCN(C[C@H]4CCOC4)CC3)nncc2c1
InChIInChI=1S/C17H22N4O/c1-2-4-16-15(3-1)11-18-19-17(16)21-8-6-20(7-9-21)12-14-5-10-22-13-14/h1-4,11,14H,5-10,12-13H2/t14-/m1/s1
InChIKeyVQVZTYPYJZKSKQ-CQSZACIVSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine?
The IUPAC name of 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine (CID 97329750) is 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine?
The canonical SMILES for 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine is c1ccc2c(N3CCN(C[C@H]4CCOC4)CC3)nncc2c1.
What is the InChIKey of 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine?
The InChIKey is VQVZTYPYJZKSKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-4-16-15(3-1)11-18-19-17(16)21-8-6-20(7-9-21)12-14-5-10-22-13-14/h1-4,11,14H,5-10,12-13H2/t14-/m1/s1.
What are the key properties of 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine?
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine has a molecular weight of 298.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine is sourced from PubChem (CID 97329750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).