3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol

C15H23FN2O — CID 107721085

IUPAC3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(O)cc1F)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H23FN2O/c1-11(14-7-6-13(19)9-15(14)16)18(3)12-5-4-8-17(2)10-12/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3
InChIKeyRXVKCMFFRAJXOJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.62
Rot. Bonds3

About 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol

3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol (PubChem CID 107721085) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
PubChem CID107721085
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(O)cc1F)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H23FN2O/c1-11(14-7-6-13(19)9-15(14)16)18(3)12-5-4-8-17(2)10-12/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3
InChIKeyRXVKCMFFRAJXOJ-UHFFFAOYSA-N
XLogP2.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
CID 79089965
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol (CID 107721085) is 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol is CC(c1ccc(O)cc1F)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The InChIKey is RXVKCMFFRAJXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(14-7-6-13(19)9-15(14)16)18(3)12-5-4-8-17(2)10-12/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol has a molecular weight of 266.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 107721085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).