2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol

C16H26FN3O — CID 107685334

IUPAC2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol
SMILESCN1CCN(C(C)(C)CNCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C16H26FN3O/c1-16(2,20-8-6-19(3)7-9-20)12-18-11-13-4-5-15(21)14(17)10-13/h4-5,10,18,21H,6-9,11-12H2,1-3H3
InChIKeyZCDWEMJVLUWVOA-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.65
Rot. Bonds5

About 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol

2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol (PubChem CID 107685334) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol
PubChem CID107685334
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol
SMILESCN1CCN(C(C)(C)CNCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C16H26FN3O/c1-16(2,20-8-6-19(3)7-9-20)12-18-11-13-4-5-15(21)14(17)10-13/h4-5,10,18,21H,6-9,11-12H2,1-3H3
InChIKeyZCDWEMJVLUWVOA-UHFFFAOYSA-N
XLogP1.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol with MolForge

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 28728842
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
N-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 103866088
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone
CID 107685980
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
4-[[(2-methyl-2-piperidin-1-ylpropyl)amino]methyl]benzoic acid
CID 122030002
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol (CID 107685334) is 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol is CN1CCN(C(C)(C)CNCc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol?
The InChIKey is ZCDWEMJVLUWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-16(2,20-8-6-19(3)7-9-20)12-18-11-13-4-5-15(21)14(17)10-13/h4-5,10,18,21H,6-9,11-12H2,1-3H3.
What are the key properties of 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol?
2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol has a molecular weight of 295.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol is sourced from PubChem (CID 107685334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).