4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine

C15H19ClN4 — CID 62142127

IUPAC4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
SMILESCCN1CCCC(Nc2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-2-20-9-5-6-11(10-20)17-15-13-8-4-3-7-12(13)14(16)18-19-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeyBOEVAASKLXHQEH-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine

4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine (PubChem CID 62142127) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
PubChem CID62142127
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
SMILESCCN1CCCC(Nc2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-2-20-9-5-6-11(10-20)17-15-13-8-4-3-7-12(13)14(16)18-19-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeyBOEVAASKLXHQEH-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
CID 172542987
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
CID 12703204
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
1-ethyl-N-(1-phenylimidazol-2-yl)piperidin-3-amine
CID 106565174
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 170165639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine (CID 62142127) is 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine is CCN1CCCC(Nc2nnc(Cl)c3ccccc23)C1.
What is the InChIKey of 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine?
The InChIKey is BOEVAASKLXHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-20-9-5-6-11(10-20)17-15-13-8-4-3-7-12(13)14(16)18-19-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine?
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine has a molecular weight of 290.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine is sourced from PubChem (CID 62142127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).