[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine

C16H24F2N2 — CID 103353345

IUPAC[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(CC(F)(F)c2ccccc2)C(CN)C1
InChIInChI=1S/C16H24F2N2/c1-2-13-8-9-20(15(10-13)11-19)12-16(17,18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,19H2,1H3
InChIKeyGMBKQMBLUHMWMK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.23
Rot. Bonds5

About [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine

[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353345) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353345
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(CC(F)(F)c2ccccc2)C(CN)C1
InChIInChI=1S/C16H24F2N2/c1-2-13-8-9-20(15(10-13)11-19)12-16(17,18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,19H2,1H3
InChIKeyGMBKQMBLUHMWMK-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine (CID 103353345) is [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(CC(F)(F)c2ccccc2)C(CN)C1.
What is the InChIKey of [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is GMBKQMBLUHMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-13-8-9-20(15(10-13)11-19)12-16(17,18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,19H2,1H3.
What are the key properties of [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine?
[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 282.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).