4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline

C15H24N2 — CID 91681120

IUPAC4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
SMILESCCc1cc(N)ccc1N1C(C)CCCC1C
InChIInChI=1S/C15H24N2/c1-4-13-10-14(16)8-9-15(13)17-11(2)6-5-7-12(17)3/h8-12H,4-7,16H2,1-3H3
InChIKeyKKKAYWWDUABARJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.60
Rot. Bonds2

About 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline

4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline (PubChem CID 91681120) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
PubChem CID91681120
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
SMILESCCc1cc(N)ccc1N1C(C)CCCC1C
InChIInChI=1S/C15H24N2/c1-4-13-10-14(16)8-9-15(13)17-11(2)6-5-7-12(17)3/h8-12H,4-7,16H2,1-3H3
InChIKeyKKKAYWWDUABARJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.60
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 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline (CID 91681120) is 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline is CCc1cc(N)ccc1N1C(C)CCCC1C.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline?
The InChIKey is KKKAYWWDUABARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-10-14(16)8-9-15(13)17-11(2)6-5-7-12(17)3/h8-12H,4-7,16H2,1-3H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline?
4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline is sourced from PubChem (CID 91681120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).