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

C15H23FN2O — CID 103948129

IUPAC4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
SMILESCC1CCN(CCNCc2cc(F)ccc2O)CC1
InChIInChI=1S/C15H23FN2O/c1-12-4-7-18(8-5-12)9-6-17-11-13-10-14(16)2-3-15(13)19/h2-3,10,12,17,19H,4-9,11H2,1H3
InChIKeyWJXARTCZHOXMLI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.35
Rot. Bonds5

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

4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol (PubChem CID 103948129) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
PubChem CID103948129
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
SMILESCC1CCN(CCNCc2cc(F)ccc2O)CC1
InChIInChI=1S/C15H23FN2O/c1-12-4-7-18(8-5-12)9-6-17-11-13-10-14(16)2-3-15(13)19/h2-3,10,12,17,19H,4-9,11H2,1H3
InChIKeyWJXARTCZHOXMLI-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 103866095
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
4-chloro-2-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 28679958
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119126719
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 103948125
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol (CID 103948129) is 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol is CC1CCN(CCNCc2cc(F)ccc2O)CC1.
What is the InChIKey of 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
The InChIKey is WJXARTCZHOXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12-4-7-18(8-5-12)9-6-17-11-13-10-14(16)2-3-15(13)19/h2-3,10,12,17,19H,4-9,11H2,1H3.
What are the key properties of 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol?
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol has a molecular weight of 266.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103948129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).