N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine

C22H26FN3 — CID 144928869

IUPACN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C
InChIInChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+
InChIKeyDPADCGZZOIJUDC-ZNTNEXAZSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine

N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (PubChem CID 144928869) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
PubChem CID144928869
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC NameN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C
InChIInChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+
InChIKeyDPADCGZZOIJUDC-ZNTNEXAZSA-N
XLogP4.37
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine 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 N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (CID 144928869) is N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is [H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is DPADCGZZOIJUDC-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+.
What are the key properties of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 351.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 144928869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).