1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine

C17H27FN2 — CID 63787296

IUPAC1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCCCC2CC)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-14(19)11-13-8-9-17(16(18)12-13)20-10-6-5-7-15(20)4-2/h8-9,12,14-15H,3-7,10-11,19H2,1-2H3
InChIKeySSOFYTOLJMENLA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine

1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine (PubChem CID 63787296) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
PubChem CID63787296
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCCCC2CC)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-14(19)11-13-8-9-17(16(18)12-13)20-10-6-5-7-15(20)4-2/h8-9,12,14-15H,3-7,10-11,19H2,1-2H3
InChIKeySSOFYTOLJMENLA-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-fluorophenyl]butan-2-amine
CID 82753152
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83046686
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
CID 63817597
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]butan-2-amine
CID 63795206
4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine (CID 63787296) is 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCCCC2CC)c(F)c1.
What is the InChIKey of 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine?
The InChIKey is SSOFYTOLJMENLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-14(19)11-13-8-9-17(16(18)12-13)20-10-6-5-7-15(20)4-2/h8-9,12,14-15H,3-7,10-11,19H2,1-2H3.
What are the key properties of 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine?
1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 63787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).