N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine

C24H25F3N4 — CID 175504874

IUPACN-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCCN(C4CCC4)C3)c3ccccc23)cc1
InChIInChI=1S/C24H25F3N4/c25-24(26,27)17-12-10-16(11-13-17)22-20-8-1-2-9-21(20)23(30-29-22)28-18-5-4-14-31(15-18)19-6-3-7-19/h1-2,8-13,18-19H,3-7,14-15H2,(H,28,30)
InChIKeyYTVILWPFZAZJOR-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.74
Rot. Bonds4

About N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine

N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine (PubChem CID 175504874) has the molecular formula C24H25F3N4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
PubChem CID175504874
Molecular FormulaC24H25F3N4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NC3CCCN(C4CCC4)C3)c3ccccc23)cc1
InChIInChI=1S/C24H25F3N4/c25-24(26,27)17-12-10-16(11-13-17)22-20-8-1-2-9-21(20)23(30-29-22)28-18-5-4-14-31(15-18)19-6-3-7-19/h1-2,8-13,18-19H,3-7,14-15H2,(H,28,30)
InChIKeyYTVILWPFZAZJOR-UHFFFAOYSA-N
XLogP5.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine?
The IUPAC name of N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine (CID 175504874) is N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine.
What is the SMILES notation for N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine?
The canonical SMILES for N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine is FC(F)(F)c1ccc(-c2nnc(NC3CCCN(C4CCC4)C3)c3ccccc23)cc1.
What is the InChIKey of N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine?
The InChIKey is YTVILWPFZAZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4/c25-24(26,27)17-12-10-16(11-13-17)22-20-8-1-2-9-21(20)23(30-29-22)28-18-5-4-14-31(15-18)19-6-3-7-19/h1-2,8-13,18-19H,3-7,14-15H2,(H,28,30).
What are the key properties of N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine?
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine has a molecular weight of 426.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine is sourced from PubChem (CID 175504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).