4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol

C14H21FN2O — CID 107692148

IUPAC4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
SMILESCC1CCN(Cc2ccc(O)c(F)c2)C(CN)C1
InChIInChI=1S/C14H21FN2O/c1-10-4-5-17(12(6-10)8-16)9-11-2-3-14(18)13(15)7-11/h2-3,7,10,12,18H,4-6,8-9,16H2,1H3
InChIKeyWPMZQOMGSCQBOT-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.09
Rot. Bonds3

About 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol

4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol (PubChem CID 107692148) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
PubChem CID107692148
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
SMILESCC1CCN(Cc2ccc(O)c(F)c2)C(CN)C1
InChIInChI=1S/C14H21FN2O/c1-10-4-5-17(12(6-10)8-16)9-11-2-3-14(18)13(15)7-11/h2-3,7,10,12,18H,4-6,8-9,16H2,1H3
InChIKeyWPMZQOMGSCQBOT-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
CID 103351651
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 103442139

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol?
The IUPAC name of 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol (CID 107692148) is 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol is CC1CCN(Cc2ccc(O)c(F)c2)C(CN)C1.
What is the InChIKey of 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol?
The InChIKey is WPMZQOMGSCQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-4-5-17(12(6-10)8-16)9-11-2-3-14(18)13(15)7-11/h2-3,7,10,12,18H,4-6,8-9,16H2,1H3.
What are the key properties of 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol?
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol is sourced from PubChem (CID 107692148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).