N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine

C13H19FN2O — CID 113347233

IUPACN-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
SMILESCOc1cc(F)cc(NC2CCN(C)CC2)c1
InChIInChI=1S/C13H19FN2O/c1-16-5-3-11(4-6-16)15-12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyFZKBIWBGPZMKAA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.34
Rot. Bonds3

About N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine

N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine (PubChem CID 113347233) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
PubChem CID113347233
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
SMILESCOc1cc(F)cc(NC2CCN(C)CC2)c1
InChIInChI=1S/C13H19FN2O/c1-16-5-3-11(4-6-16)15-12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyFZKBIWBGPZMKAA-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
N-(3-fluoro-5-methoxyphenyl)oxan-3-amine
CID 115884906
N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
CID 114262716
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 103818356
1-methyl-N-(3,4,5-trifluorophenyl)azepan-4-amine
CID 65070702
1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 114263163
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine (CID 113347233) is N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine is COc1cc(F)cc(NC2CCN(C)CC2)c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine?
The InChIKey is FZKBIWBGPZMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-5-3-11(4-6-16)15-12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine?
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine has a molecular weight of 238.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 113347233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).