4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline

C20H25FN2O — CID 170160185

IUPAC4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(CN3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C20H25FN2O/c1-24-20-8-4-16(5-9-20)14-22-19-6-2-17(3-7-19)15-23-12-10-18(21)11-13-23/h2-9,18,22H,10-15H2,1H3
InChIKeyRQBLHLNQXCLZEF-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.24
Rot. Bonds6

About 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline

4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 170160185) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID170160185
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(CN3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C20H25FN2O/c1-24-20-8-4-16(5-9-20)14-22-19-6-2-17(3-7-19)15-23-12-10-18(21)11-13-23/h2-9,18,22H,10-15H2,1H3
InChIKeyRQBLHLNQXCLZEF-UHFFFAOYSA-N
XLogP4.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
1-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762074
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 136527461

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline (CID 170160185) is 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(CN3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is RQBLHLNQXCLZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-24-20-8-4-16(5-9-20)14-22-19-6-2-17(3-7-19)15-23-12-10-18(21)11-13-23/h2-9,18,22H,10-15H2,1H3.
What are the key properties of 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline?
4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 328.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 170160185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).