5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol

C16H25FN2O — CID 63636382

IUPAC5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
SMILESCCCN(C1CCCNC1)C(C)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-3-9-19(14-5-4-8-18-11-14)12(2)15-7-6-13(17)10-16(15)20/h6-7,10,12,14,18,20H,3-5,8-9,11H2,1-2H3
InChIKeyQELLIFZNBPHDIR-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.06
Rot. Bonds5

About 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol

5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol (PubChem CID 63636382) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
PubChem CID63636382
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
SMILESCCCN(C1CCCNC1)C(C)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-3-9-19(14-5-4-8-18-11-14)12(2)15-7-6-13(17)10-16(15)20/h6-7,10,12,14,18,20H,3-5,8-9,11H2,1-2H3
InChIKeyQELLIFZNBPHDIR-UHFFFAOYSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.06
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-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
CID 63643683
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol (CID 63636382) is 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol is CCCN(C1CCCNC1)C(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol?
The InChIKey is QELLIFZNBPHDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-9-19(14-5-4-8-18-11-14)12(2)15-7-6-13(17)10-16(15)20/h6-7,10,12,14,18,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol?
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 3.06, 5 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-3-yl(propyl)amino]ethyl]phenol is sourced from PubChem (CID 63636382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).