2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one

C14H19N5O — CID 118592171

IUPAC2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one
SMILESNCC1CCN(c2nn(N)c(=O)c3ccccc23)CC1
InChIInChI=1S/C14H19N5O/c15-9-10-5-7-18(8-6-10)13-11-3-1-2-4-12(11)14(20)19(16)17-13/h1-4,10H,5-9,15-16H2
InChIKeyITKJTQJIUZUMLN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.29
Rot. Bonds2

About 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one

2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one (PubChem CID 118592171) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one.

Molecular Properties

Compound Name2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one
PubChem CID118592171
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one
SMILESNCC1CCN(c2nn(N)c(=O)c3ccccc23)CC1
InChIInChI=1S/C14H19N5O/c15-9-10-5-7-18(8-6-10)13-11-3-1-2-4-12(11)14(20)19(16)17-13/h1-4,10H,5-9,15-16H2
InChIKeyITKJTQJIUZUMLN-UHFFFAOYSA-N
XLogP0.29
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
CID 71644884
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-(aminomethyl)piperidin-1-yl]pyridin-3-ol
CID 71644858
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
CID 83821652
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812
[(3S)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine
CID 97165642
6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62062560
4-(3-aminoazepan-1-yl)-2-cyclohexylphthalazin-1-one
CID 155345991
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
[1-(4-methylidene-3H-phthalazin-1-yl)piperidin-4-yl]methanamine
CID 118592177

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one?
The IUPAC name of 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one (CID 118592171) is 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one.
What is the SMILES notation for 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one?
The canonical SMILES for 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one is NCC1CCN(c2nn(N)c(=O)c3ccccc23)CC1.
What is the InChIKey of 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one?
The InChIKey is ITKJTQJIUZUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-9-10-5-7-18(8-6-10)13-11-3-1-2-4-12(11)14(20)19(16)17-13/h1-4,10H,5-9,15-16H2.
What are the key properties of 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one?
2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one has a molecular weight of 273.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(aminomethyl)piperidin-1-yl]phthalazin-1-one is sourced from PubChem (CID 118592171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).