1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine

C14H21FN2O — CID 102877833

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
SMILESCOc1ccc(CN2CC(C)CC(N)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-5-12(16)9-17(7-10)8-11-3-4-13(18-2)6-14(11)15/h3-4,6,10,12H,5,7-9,16H2,1-2H3
InChIKeyZLCXVYQEDLGTRG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine

1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 102877833) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID102877833
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
SMILESCOc1ccc(CN2CC(C)CC(N)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-5-12(16)9-17(7-10)8-11-3-4-13(18-2)6-14(11)15/h3-4,6,10,12H,5,7-9,16H2,1-2H3
InChIKeyZLCXVYQEDLGTRG-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine (CID 102877833) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine is COc1ccc(CN2CC(C)CC(N)C2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is ZLCXVYQEDLGTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-5-12(16)9-17(7-10)8-11-3-4-13(18-2)6-14(11)15/h3-4,6,10,12H,5,7-9,16H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 102877833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).