2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine

C23H24FN3 — CID 68702007

IUPAC2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine
SMILESNc1ccccc1NC1CCN([C@@H]2Cc3ccc(F)c4cccc2c34)CC1
InChIInChI=1S/C23H24FN3/c24-19-9-8-15-14-22(18-5-3-4-17(19)23(15)18)27-12-10-16(11-13-27)26-21-7-2-1-6-20(21)25/h1-9,16,22,26H,10-14,25H2/t22-/m1/s1
InChIKeyZRQFFRVLQBLOOZ-JOCHJYFZSA-N
MW361.46 g/mol
LogP4.73
Rot. Bonds3

About 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine

2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine (PubChem CID 68702007) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine
PubChem CID68702007
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine
SMILESNc1ccccc1NC1CCN([C@@H]2Cc3ccc(F)c4cccc2c34)CC1
InChIInChI=1S/C23H24FN3/c24-19-9-8-15-14-22(18-5-3-4-17(19)23(15)18)27-12-10-16(11-13-27)26-21-7-2-1-6-20(21)25/h1-9,16,22,26H,10-14,25H2/t22-/m1/s1
InChIKeyZRQFFRVLQBLOOZ-JOCHJYFZSA-N
XLogP4.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine?
The IUPAC name of 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine (CID 68702007) is 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine is Nc1ccccc1NC1CCN([C@@H]2Cc3ccc(F)c4cccc2c34)CC1.
What is the InChIKey of 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine?
The InChIKey is ZRQFFRVLQBLOOZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24FN3/c24-19-9-8-15-14-22(18-5-3-4-17(19)23(15)18)27-12-10-16(11-13-27)26-21-7-2-1-6-20(21)25/h1-9,16,22,26H,10-14,25H2/t22-/m1/s1.
What are the key properties of 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine?
2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine has a molecular weight of 361.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(1R)-5-fluoro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]benzene-1,2-diamine is sourced from PubChem (CID 68702007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).