5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol

C13H19FN2O — CID 83007049

IUPAC5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
SMILESCC(NN1CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C13H19FN2O/c1-10(15-16-7-3-2-4-8-16)12-6-5-11(14)9-13(12)17/h5-6,9-10,15,17H,2-4,7-8H2,1H3
InChIKeyJCQURDBWXAZELI-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.58
Rot. Bonds3

About 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol

5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol (PubChem CID 83007049) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
PubChem CID83007049
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol
SMILESCC(NN1CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C13H19FN2O/c1-10(15-16-7-3-2-4-8-16)12-6-5-11(14)9-13(12)17/h5-6,9-10,15,17H,2-4,7-8H2,1H3
InChIKeyJCQURDBWXAZELI-UHFFFAOYSA-N
XLogP2.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 63068169
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]-5-fluorophenol
CID 79091005
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83008977
N-[1-(2,4-dimethylphenyl)ethyl]piperidin-1-amine
CID 83007636
5-methyl-2-[1-[(4-methylpiperazin-1-yl)amino]ethyl]phenol
CID 83010493
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine
CID 83007667
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol (CID 83007049) is 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol is CC(NN1CCCCC1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol?
The InChIKey is JCQURDBWXAZELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(15-16-7-3-2-4-8-16)12-6-5-11(14)9-13(12)17/h5-6,9-10,15,17H,2-4,7-8H2,1H3.
What are the key properties of 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol?
5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol has a molecular weight of 238.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(piperidin-1-ylamino)ethyl]phenol is sourced from PubChem (CID 83007049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).