1-chloro-4-piperidin-1-ylphthalazine

C13H14ClN3 — CID 768785

IUPAC1-chloro-4-piperidin-1-ylphthalazine
SMILESClc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyGZHRIJILPSVIKI-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.27
Rot. Bonds1

About 1-chloro-4-piperidin-1-ylphthalazine

1-chloro-4-piperidin-1-ylphthalazine (PubChem CID 768785) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-chloro-4-piperidin-1-ylphthalazine.

Molecular Properties

Compound Name1-chloro-4-piperidin-1-ylphthalazine
PubChem CID768785
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-chloro-4-piperidin-1-ylphthalazine
SMILESClc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyGZHRIJILPSVIKI-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-piperidin-1-ylphthalazine?
The IUPAC name of 1-chloro-4-piperidin-1-ylphthalazine (CID 768785) is 1-chloro-4-piperidin-1-ylphthalazine.
What is the SMILES notation for 1-chloro-4-piperidin-1-ylphthalazine?
The canonical SMILES for 1-chloro-4-piperidin-1-ylphthalazine is Clc1nnc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-chloro-4-piperidin-1-ylphthalazine?
The InChIKey is GZHRIJILPSVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-chloro-4-piperidin-1-ylphthalazine?
1-chloro-4-piperidin-1-ylphthalazine has a molecular weight of 247.73 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-piperidin-1-ylphthalazine is sourced from PubChem (CID 768785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).