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

C14H21FN2O — CID 63643683

IUPAC5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(F)cc1O)N(C)C1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-10(13-6-5-11(15)8-14(13)18)17(2)12-4-3-7-16-9-12/h5-6,8,10,12,16,18H,3-4,7,9H2,1-2H3
InChIKeyFLNFINABZZFGIF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.28
Rot. Bonds3

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

5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol (PubChem CID 63643683) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
PubChem CID63643683
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(F)cc1O)N(C)C1CCCNC1
InChIInChI=1S/C14H21FN2O/c1-10(13-6-5-11(15)8-14(13)18)17(2)12-4-3-7-16-9-12/h5-6,8,10,12,16,18H,3-4,7,9H2,1-2H3
InChIKeyFLNFINABZZFGIF-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.28
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

N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
2-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-5-fluorophenol
CID 82981552
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
CID 71637497

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol (CID 63643683) is 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol is CC(c1ccc(F)cc1O)N(C)C1CCCNC1.
What is the InChIKey of 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol?
The InChIKey is FLNFINABZZFGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(13-6-5-11(15)8-14(13)18)17(2)12-4-3-7-16-9-12/h5-6,8,10,12,16,18H,3-4,7,9H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol?
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol has a molecular weight of 252.33 g/mol, XLogP of 2.28, 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-[methyl(piperidin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 63643683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).