[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine

C15H20N4 — CID 118592177

IUPAC[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine
SMILESC=C1NN=C(N2CCC(CN)CC2)c2ccccc21
InChIInChI=1S/C15H20N4/c1-11-13-4-2-3-5-14(13)15(18-17-11)19-8-6-12(10-16)7-9-19/h2-5,12,17H,1,6-10,16H2
InChIKeyKJSDULIGGLZHNV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.59
Rot. Bonds1

About [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine

[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine (PubChem CID 118592177) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine
PubChem CID118592177
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine
SMILESC=C1NN=C(N2CCC(CN)CC2)c2ccccc21
InChIInChI=1S/C15H20N4/c1-11-13-4-2-3-5-14(13)15(18-17-11)19-8-6-12(10-16)7-9-19/h2-5,12,17H,1,6-10,16H2
InChIKeyKJSDULIGGLZHNV-UHFFFAOYSA-N
XLogP1.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine (CID 118592177) is [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine is C=C1NN=C(N2CCC(CN)CC2)c2ccccc21.
What is the InChIKey of [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine?
The InChIKey is KJSDULIGGLZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-13-4-2-3-5-14(13)15(18-17-11)19-8-6-12(10-16)7-9-19/h2-5,12,17H,1,6-10,16H2.
What are the key properties of [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine?
[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 118592177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).