N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

C24H26FN3O — CID 22558022

IUPACN-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3ccc(F)cc3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H26FN3O/c1-29-23-8-6-21(7-9-23)28(22-11-13-26-14-12-22)17-18-10-15-27-24(16-18)19-2-4-20(25)5-3-19/h2-10,15-16,22,26H,11-14,17H2,1H3
InChIKeyYMXJTKKNYWAEKD-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.65
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 22558022) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
PubChem CID22558022
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC NameN-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3ccc(F)cc3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H26FN3O/c1-29-23-8-6-21(7-9-23)28(22-11-13-26-14-12-22)17-18-10-15-27-24(16-18)19-2-4-20(25)5-3-19/h2-10,15-16,22,26H,11-14,17H2,1H3
InChIKeyYMXJTKKNYWAEKD-UHFFFAOYSA-N
XLogP4.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-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-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 22558022) is N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is COc1ccc(N(Cc2ccnc(-c3ccc(F)cc3)c2)C2CCNCC2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is YMXJTKKNYWAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-29-23-8-6-21(7-9-23)28(22-11-13-26-14-12-22)17-18-10-15-27-24(16-18)19-2-4-20(25)5-3-19/h2-10,15-16,22,26H,11-14,17H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 22558022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).