2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol

C13H19FN2O — CID 64780913

IUPAC2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
SMILESCN1CCCC(CNc2ccc(O)c(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-16-6-2-3-10(9-16)8-15-11-4-5-13(17)12(14)7-11/h4-5,7,10,15,17H,2-3,6,8-9H2,1H3
InChIKeyJNCROLXTAKYHJI-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.29
Rot. Bonds3

About 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol

2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol (PubChem CID 64780913) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
PubChem CID64780913
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
SMILESCN1CCCC(CNc2ccc(O)c(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-16-6-2-3-10(9-16)8-15-11-4-5-13(17)12(14)7-11/h4-5,7,10,15,17H,2-3,6,8-9H2,1H3
InChIKeyJNCROLXTAKYHJI-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
5-bromo-2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62654177
3-bromo-N-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335835
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol (CID 64780913) is 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol is CN1CCCC(CNc2ccc(O)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol?
The InChIKey is JNCROLXTAKYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-6-2-3-10(9-16)8-15-11-4-5-13(17)12(14)7-11/h4-5,7,10,15,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol?
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol has a molecular weight of 238.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol is sourced from PubChem (CID 64780913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).