2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline

C16H25FN2 — CID 103590369

IUPAC2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
SMILESCCC1(CC)CCN(c2cc(C)c(F)cc2N)CC1
InChIInChI=1S/C16H25FN2/c1-4-16(5-2)6-8-19(9-7-16)15-10-12(3)13(17)11-14(15)18/h10-11H,4-9,18H2,1-3H3
InChIKeyJRLNEEGNSWOKLQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.12
Rot. Bonds3

About 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline

2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline (PubChem CID 103590369) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
PubChem CID103590369
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
SMILESCCC1(CC)CCN(c2cc(C)c(F)cc2N)CC1
InChIInChI=1S/C16H25FN2/c1-4-16(5-2)6-8-19(9-7-16)15-10-12(3)13(17)11-14(15)18/h10-11H,4-9,18H2,1-3H3
InChIKeyJRLNEEGNSWOKLQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline (CID 103590369) is 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline is CCC1(CC)CCN(c2cc(C)c(F)cc2N)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline?
The InChIKey is JRLNEEGNSWOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-16(5-2)6-8-19(9-7-16)15-10-12(3)13(17)11-14(15)18/h10-11H,4-9,18H2,1-3H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline?
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline is sourced from PubChem (CID 103590369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).