2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol

C17H27FN2O — CID 63066951

IUPAC2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
SMILESCCCCN1CCC(NC(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C17H27FN2O/c1-3-4-9-20-10-7-15(8-11-20)19-13(2)16-6-5-14(18)12-17(16)21/h5-6,12-13,15,19,21H,3-4,7-11H2,1-2H3
InChIKeyYFANEWLWJDZJAW-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol

2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol (PubChem CID 63066951) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
PubChem CID63066951
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
SMILESCCCCN1CCC(NC(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C17H27FN2O/c1-3-4-9-20-10-7-15(8-11-20)19-13(2)16-6-5-14(18)12-17(16)21/h5-6,12-13,15,19,21H,3-4,7-11H2,1-2H3
InChIKeyYFANEWLWJDZJAW-UHFFFAOYSA-N
XLogP3.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.45
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

5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol (CID 63066951) is 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol is CCCCN1CCC(NC(C)c2ccc(F)cc2O)CC1.
What is the InChIKey of 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol?
The InChIKey is YFANEWLWJDZJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-4-9-20-10-7-15(8-11-20)19-13(2)16-6-5-14(18)12-17(16)21/h5-6,12-13,15,19,21H,3-4,7-11H2,1-2H3.
What are the key properties of 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol?
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol has a molecular weight of 294.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).