[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine

C17H27FN2O — CID 103351675

IUPAC[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2c(F)cccc2OC)C(CN)C1
InChIInChI=1S/C17H27FN2O/c1-4-13-8-9-20(14(10-13)11-19)12(2)17-15(18)6-5-7-16(17)21-3/h5-7,12-14H,4,8-11,19H2,1-3H3
InChIKeyPHMBXBCMLDFGTE-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.34
Rot. Bonds5

About [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine

[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 103351675) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
PubChem CID103351675
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2c(F)cccc2OC)C(CN)C1
InChIInChI=1S/C17H27FN2O/c1-4-13-8-9-20(14(10-13)11-19)12(2)17-15(18)6-5-7-16(17)21-3/h5-7,12-14H,4,8-11,19H2,1-3H3
InChIKeyPHMBXBCMLDFGTE-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine (CID 103351675) is [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine is CCC1CCN(C(C)c2c(F)cccc2OC)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is PHMBXBCMLDFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-13-8-9-20(14(10-13)11-19)12(2)17-15(18)6-5-7-16(17)21-3/h5-7,12-14H,4,8-11,19H2,1-3H3.
What are the key properties of [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 294.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103351675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).