4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol

C15H23FN2O — CID 107692162

IUPAC4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)CC1CCCCN1
InChIInChI=1S/C15H23FN2O/c1-2-18(11-13-5-3-4-8-17-13)10-12-6-7-15(19)14(16)9-12/h6-7,9,13,17,19H,2-5,8,10-11H2,1H3
InChIKeyOCCJQAYQWHDAFU-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.50
Rot. Bonds5

About 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol

4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol (PubChem CID 107692162) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
PubChem CID107692162
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)CC1CCCCN1
InChIInChI=1S/C15H23FN2O/c1-2-18(11-13-5-3-4-8-17-13)10-12-6-7-15(19)14(16)9-12/h6-7,9,13,17,19H,2-5,8,10-11H2,1H3
InChIKeyOCCJQAYQWHDAFU-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622354
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-4-fluorobenzonitrile
CID 106632757
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol (CID 107692162) is 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol is CCN(Cc1ccc(O)c(F)c1)CC1CCCCN1.
What is the InChIKey of 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol?
The InChIKey is OCCJQAYQWHDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-18(11-13-5-3-4-8-17-13)10-12-6-7-15(19)14(16)9-12/h6-7,9,13,17,19H,2-5,8,10-11H2,1H3.
What are the key properties of 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol?
4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 107692162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).