2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol

C16H24F2N2O — CID 79832437

IUPAC2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
SMILESCC1CCN(CCCNCc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C16H24F2N2O/c1-12-3-7-20(8-4-12)6-2-5-19-11-13-9-14(17)16(21)15(18)10-13/h9-10,12,19,21H,2-8,11H2,1H3
InChIKeyFTSPEHPFGCNHHP-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.88
Rot. Bonds6

About 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol

2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol (PubChem CID 79832437) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
PubChem CID79832437
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
SMILESCC1CCN(CCCNCc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C16H24F2N2O/c1-12-3-7-20(8-4-12)6-2-5-19-11-13-9-14(17)16(21)15(18)10-13/h9-10,12,19,21H,2-8,11H2,1H3
InChIKeyFTSPEHPFGCNHHP-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
4-chloro-2-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 28679958
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 78816728
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
1-[(3-fluoro-4-hydroxyphenyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111797404
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 114487249

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol (CID 79832437) is 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol is CC1CCN(CCCNCc2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol?
The InChIKey is FTSPEHPFGCNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-12-3-7-20(8-4-12)6-2-5-19-11-13-9-14(17)16(21)15(18)10-13/h9-10,12,19,21H,2-8,11H2,1H3.
What are the key properties of 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol?
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol has a molecular weight of 298.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol is sourced from PubChem (CID 79832437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).