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

C20H24BrFN2O — CID 175567988

IUPACN-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(F)ccc2OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H24BrFN2O/c1-24-10-8-19(9-11-24)23-13-16-12-18(22)6-7-20(16)25-14-15-2-4-17(21)5-3-15/h2-7,12,19,23H,8-11,13-14H2,1H3
InChIKeyHILAHNOTIGADHC-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.35
Rot. Bonds6

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

N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 175567988) has the molecular formula C20H24BrFN2O and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID175567988
Molecular FormulaC20H24BrFN2O
Molecular Weight407.33 g/mol
Exact Mass406.11
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(F)ccc2OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H24BrFN2O/c1-24-10-8-19(9-11-24)23-13-16-12-18(22)6-7-20(16)25-14-15-2-4-17(21)5-3-15/h2-7,12,19,23H,8-11,13-14H2,1H3
InChIKeyHILAHNOTIGADHC-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine (CID 175567988) is N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(F)ccc2OCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is HILAHNOTIGADHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O/c1-24-10-8-19(9-11-24)23-13-16-12-18(22)6-7-20(16)25-14-15-2-4-17(21)5-3-15/h2-7,12,19,23H,8-11,13-14H2,1H3.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine?
N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 407.33 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]-5-fluorophenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 175567988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).