N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine

C20H21FN4 — CID 174614610

IUPACN-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine
SMILESFc1ccc(-c2nnc(CNC3CCNCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21FN4/c21-15-7-5-14(6-8-15)20-18-4-2-1-3-17(18)19(24-25-20)13-23-16-9-11-22-12-10-16/h1-8,16,22-23H,9-13H2
InChIKeyPGIGAQFUOFABRB-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.28
Rot. Bonds4

About N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine

N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine (PubChem CID 174614610) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine
PubChem CID174614610
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine
SMILESFc1ccc(-c2nnc(CNC3CCNCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21FN4/c21-15-7-5-14(6-8-15)20-18-4-2-1-3-17(18)19(24-25-20)13-23-16-9-11-22-12-10-16/h1-8,16,22-23H,9-13H2
InChIKeyPGIGAQFUOFABRB-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine (CID 174614610) is N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine is Fc1ccc(-c2nnc(CNC3CCNCC3)c3ccccc23)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine?
The InChIKey is PGIGAQFUOFABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-15-7-5-14(6-8-15)20-18-4-2-1-3-17(18)19(24-25-20)13-23-16-9-11-22-12-10-16/h1-8,16,22-23H,9-13H2.
What are the key properties of N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine?
N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine has a molecular weight of 336.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)phthalazin-1-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 174614610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).