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

C14H21FN2O — CID 107701864

IUPAC4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
SMILESCN1CCC(N(C)Cc2cc(F)ccc2O)CC1
InChIInChI=1S/C14H21FN2O/c1-16-7-5-13(6-8-16)17(2)10-11-9-12(15)3-4-14(11)18/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyRJHUYQYHLKWJSN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.06
Rot. Bonds3

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

4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 107701864) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
PubChem CID107701864
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
SMILESCN1CCC(N(C)Cc2cc(F)ccc2O)CC1
InChIInChI=1S/C14H21FN2O/c1-16-7-5-13(6-8-16)17(2)10-11-9-12(15)3-4-14(11)18/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyRJHUYQYHLKWJSN-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
5-fluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 76994502
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
4-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]benzoic acid
CID 107907796
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
4-fluoro-2-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 107907567
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol (CID 107701864) is 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol is CN1CCC(N(C)Cc2cc(F)ccc2O)CC1.
What is the InChIKey of 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is RJHUYQYHLKWJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-7-5-13(6-8-16)17(2)10-11-9-12(15)3-4-14(11)18/h3-4,9,13,18H,5-8,10H2,1-2H3.
What are the key properties of 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol?
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 252.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 107701864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).