N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine

C21H27FN2O — CID 175567972

IUPACN-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(OCc2ccc(F)cc2)c(CNC2CCN(C)CC2)c1
InChIInChI=1S/C21H27FN2O/c1-16-3-8-21(25-15-17-4-6-19(22)7-5-17)18(13-16)14-23-20-9-11-24(2)12-10-20/h3-8,13,20,23H,9-12,14-15H2,1-2H3
InChIKeyXFXVMAWGHMSWIE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.90
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine

N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 175567972) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID175567972
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(OCc2ccc(F)cc2)c(CNC2CCN(C)CC2)c1
InChIInChI=1S/C21H27FN2O/c1-16-3-8-21(25-15-17-4-6-19(22)7-5-17)18(13-16)14-23-20-9-11-24(2)12-10-20/h3-8,13,20,23H,9-12,14-15H2,1-2H3
InChIKeyXFXVMAWGHMSWIE-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine (CID 175567972) is N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine is Cc1ccc(OCc2ccc(F)cc2)c(CNC2CCN(C)CC2)c1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is XFXVMAWGHMSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-16-3-8-21(25-15-17-4-6-19(22)7-5-17)18(13-16)14-23-20-9-11-24(2)12-10-20/h3-8,13,20,23H,9-12,14-15H2,1-2H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine?
N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 342.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 175567972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).