2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine

C16H22N4 — CID 63767576

IUPAC2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
SMILESCc1nnc(N2CCCCC2CCN)c2ccccc12
InChIInChI=1S/C16H22N4/c1-12-14-7-2-3-8-15(14)16(19-18-12)20-11-5-4-6-13(20)9-10-17/h2-3,7-8,13H,4-6,9-11,17H2,1H3
InChIKeyNOWSCTURMAAGFT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine

2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine (PubChem CID 63767576) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
PubChem CID63767576
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
SMILESCc1nnc(N2CCCCC2CCN)c2ccccc12
InChIInChI=1S/C16H22N4/c1-12-14-7-2-3-8-15(14)16(19-18-12)20-11-5-4-6-13(20)9-10-17/h2-3,7-8,13H,4-6,9-11,17H2,1H3
InChIKeyNOWSCTURMAAGFT-UHFFFAOYSA-N
XLogP2.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine (CID 63767576) is 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine is Cc1nnc(N2CCCCC2CCN)c2ccccc12.
What is the InChIKey of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine?
The InChIKey is NOWSCTURMAAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-14-7-2-3-8-15(14)16(19-18-12)20-11-5-4-6-13(20)9-10-17/h2-3,7-8,13H,4-6,9-11,17H2,1H3.
What are the key properties of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine?
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63767576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).