2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol

C14H21FN2O — CID 112606713

IUPAC2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
SMILESCN1CCC(CNCc2cccc(F)c2O)CC1
InChIInChI=1S/C14H21FN2O/c1-17-7-5-11(6-8-17)9-16-10-12-3-2-4-13(15)14(12)18/h2-4,11,16,18H,5-10H2,1H3
InChIKeyDESIJPCSXMYRDP-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.96
Rot. Bonds4

About 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol

2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol (PubChem CID 112606713) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
PubChem CID112606713
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
SMILESCN1CCC(CNCc2cccc(F)c2O)CC1
InChIInChI=1S/C14H21FN2O/c1-17-7-5-11(6-8-17)9-16-10-12-3-2-4-13(15)14(12)18/h2-4,11,16,18H,5-10H2,1H3
InChIKeyDESIJPCSXMYRDP-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102615607
2-fluoro-6-[[9-[4-[1-[9-[(3-fluoro-2-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonylamino]methyl]phenol
CID 142786471
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol (CID 112606713) is 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol is CN1CCC(CNCc2cccc(F)c2O)CC1.
What is the InChIKey of 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol?
The InChIKey is DESIJPCSXMYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17-7-5-11(6-8-17)9-16-10-12-3-2-4-13(15)14(12)18/h2-4,11,16,18H,5-10H2,1H3.
What are the key properties of 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol?
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol has a molecular weight of 252.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 112606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).