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

C14H20FNO2 — CID 114221675

IUPAC4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
SMILESCOC1CCN(Cc2cc(F)ccc2O)C(C)C1
InChIInChI=1S/C14H20FNO2/c1-10-7-13(18-2)5-6-16(10)9-11-8-12(15)3-4-14(11)17/h3-4,8,10,13,17H,5-7,9H2,1-2H3
InChIKeyFQEUMVUMHXUIRW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds3

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

4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol (PubChem CID 114221675) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
PubChem CID114221675
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
SMILESCOC1CCN(Cc2cc(F)ccc2O)C(C)C1
InChIInChI=1S/C14H20FNO2/c1-10-7-13(18-2)5-6-16(10)9-11-8-12(15)3-4-14(11)17/h3-4,8,10,13,17H,5-7,9H2,1-2H3
InChIKeyFQEUMVUMHXUIRW-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.53
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

[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
1-[(2-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745130
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
3-[(4-methoxy-2-methylpiperidin-1-yl)methyl]benzonitrile
CID 114221055
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol (CID 114221675) is 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol is COC1CCN(Cc2cc(F)ccc2O)C(C)C1.
What is the InChIKey of 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is FQEUMVUMHXUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-7-13(18-2)5-6-16(10)9-11-8-12(15)3-4-14(11)17/h3-4,8,10,13,17H,5-7,9H2,1-2H3.
What are the key properties of 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol?
4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 253.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 114221675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).