4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol

C14H21FN2O — CID 103784727

IUPAC4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
SMILESCCN1CCC(NCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-2-17-7-5-12(6-8-17)16-10-11-3-4-14(18)13(15)9-11/h3-4,9,12,16,18H,2,5-8,10H2,1H3
InChIKeyAAHOECSJPYAODR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.11
Rot. Bonds4

About 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol

4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol (PubChem CID 103784727) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
PubChem CID103784727
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
SMILESCCN1CCC(NCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-2-17-7-5-12(6-8-17)16-10-11-3-4-14(18)13(15)9-11/h3-4,9,12,16,18H,2,5-8,10H2,1H3
InChIKeyAAHOECSJPYAODR-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
CID 103874812
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28716549
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
1-[(3-fluoro-4-hydroxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111791587
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol (CID 103784727) is 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol is CCN1CCC(NCc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The InChIKey is AAHOECSJPYAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-17-7-5-12(6-8-17)16-10-11-3-4-14(18)13(15)9-11/h3-4,9,12,16,18H,2,5-8,10H2,1H3.
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 103784727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).