[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine

C16H24F2N2 — CID 107932928

IUPAC[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine
SMILESCCC1(CC)CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C16H24F2N2/c1-3-16(4-2)7-9-20(10-8-16)13-6-5-12(11-19)14(17)15(13)18/h5-6H,3-4,7-11,19H2,1-2H3
InChIKeyLQLJLJMKAGEHAN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.83
Rot. Bonds4

About [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine

[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine (PubChem CID 107932928) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine
PubChem CID107932928
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine
SMILESCCC1(CC)CCN(c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C16H24F2N2/c1-3-16(4-2)7-9-20(10-8-16)13-6-5-12(11-19)14(17)15(13)18/h5-6H,3-4,7-11,19H2,1-2H3
InChIKeyLQLJLJMKAGEHAN-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine?
The IUPAC name of [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine (CID 107932928) is [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine.
What is the SMILES notation for [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine?
The canonical SMILES for [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine is CCC1(CC)CCN(c2ccc(CN)c(F)c2F)CC1.
What is the InChIKey of [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine?
The InChIKey is LQLJLJMKAGEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-16(4-2)7-9-20(10-8-16)13-6-5-12(11-19)14(17)15(13)18/h5-6H,3-4,7-11,19H2,1-2H3.
What are the key properties of [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine?
[4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine has a molecular weight of 282.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-diethylpiperidin-1-yl)-2,3-difluorophenyl]methanamine is sourced from PubChem (CID 107932928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).