2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol

C15H23FN2O — CID 63644320

IUPAC2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
SMILESCCN(C1CCCNC1)C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H23FN2O/c1-3-18(13-5-4-8-17-10-13)11(2)14-7-6-12(16)9-15(14)19/h6-7,9,11,13,17,19H,3-5,8,10H2,1-2H3
InChIKeyIYEJFPDILWFFIQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol

2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol (PubChem CID 63644320) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
PubChem CID63644320
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
SMILESCCN(C1CCCNC1)C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H23FN2O/c1-3-18(13-5-4-8-17-10-13)11(2)14-7-6-12(16)9-15(14)19/h6-7,9,11,13,17,19H,3-5,8,10H2,1-2H3
InChIKeyIYEJFPDILWFFIQ-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.67
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-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
CID 63643683
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol (CID 63644320) is 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol is CCN(C1CCCNC1)C(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol?
The InChIKey is IYEJFPDILWFFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18(13-5-4-8-17-10-13)11(2)14-7-6-12(16)9-15(14)19/h6-7,9,11,13,17,19H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol?
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63644320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).