1-(4-methylphthalazin-1-yl)piperidin-4-amine

C14H18N4 — CID 43517082

IUPAC1-(4-methylphthalazin-1-yl)piperidin-4-amine
SMILESCc1nnc(N2CCC(N)CC2)c2ccccc12
InChIInChI=1S/C14H18N4/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-8-6-11(15)7-9-18/h2-5,11H,6-9,15H2,1H3
InChIKeyPOWHFYGLZWXZTP-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.87
Rot. Bonds1

About 1-(4-methylphthalazin-1-yl)piperidin-4-amine

1-(4-methylphthalazin-1-yl)piperidin-4-amine (PubChem CID 43517082) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(4-methylphthalazin-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methylphthalazin-1-yl)piperidin-4-amine
PubChem CID43517082
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(4-methylphthalazin-1-yl)piperidin-4-amine
SMILESCc1nnc(N2CCC(N)CC2)c2ccccc12
InChIInChI=1S/C14H18N4/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-8-6-11(15)7-9-18/h2-5,11H,6-9,15H2,1H3
InChIKeyPOWHFYGLZWXZTP-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The IUPAC name of 1-(4-methylphthalazin-1-yl)piperidin-4-amine (CID 43517082) is 1-(4-methylphthalazin-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-methylphthalazin-1-yl)piperidin-4-amine is Cc1nnc(N2CCC(N)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methylphthalazin-1-yl)piperidin-4-amine?
The InChIKey is POWHFYGLZWXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-8-6-11(15)7-9-18/h2-5,11H,6-9,15H2,1H3.
What are the key properties of 1-(4-methylphthalazin-1-yl)piperidin-4-amine?
1-(4-methylphthalazin-1-yl)piperidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphthalazin-1-yl)piperidin-4-amine is sourced from PubChem (CID 43517082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).