N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine

C25H36FN3O — CID 166818497

IUPACN-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCC(C)COc1ccc(CNCc2cc(F)ccc2CNC2CCN(C)CC2)cc1
InChIInChI=1S/C25H36FN3O/c1-19(2)18-30-25-8-4-20(5-9-25)15-27-16-22-14-23(26)7-6-21(22)17-28-24-10-12-29(3)13-11-24/h4-9,14,19,24,27-28H,10-13,15-18H2,1-3H3
InChIKeyNLZLUTVMMBYAML-UHFFFAOYSA-N
MW413.58 g/mol
LogP4.33
Rot. Bonds10

About N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine

N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 166818497) has the molecular formula C25H36FN3O and a molecular weight of 413.58 g/mol. Its IUPAC name is N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID166818497
Molecular FormulaC25H36FN3O
Molecular Weight413.58 g/mol
Exact Mass413.28
IUPAC NameN-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCC(C)COc1ccc(CNCc2cc(F)ccc2CNC2CCN(C)CC2)cc1
InChIInChI=1S/C25H36FN3O/c1-19(2)18-30-25-8-4-20(5-9-25)15-27-16-22-14-23(26)7-6-21(22)17-28-24-10-12-29(3)13-11-24/h4-9,14,19,24,27-28H,10-13,15-18H2,1-3H3
InChIKeyNLZLUTVMMBYAML-UHFFFAOYSA-N
XLogP4.33
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine (CID 166818497) is N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine is CC(C)COc1ccc(CNCc2cc(F)ccc2CNC2CCN(C)CC2)cc1.
What is the InChIKey of N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is NLZLUTVMMBYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O/c1-19(2)18-30-25-8-4-20(5-9-25)15-27-16-22-14-23(26)7-6-21(22)17-28-24-10-12-29(3)13-11-24/h4-9,14,19,24,27-28H,10-13,15-18H2,1-3H3.
What are the key properties of N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 413.58 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 166818497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).