2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C17H28N2 — CID 54862093

IUPAC2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCCc1cccc(C)c1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2/c1-5-15-8-6-7-13(2)17(15)18-14(3)16-9-11-19(4)12-10-16/h6-8,14,16,18H,5,9-12H2,1-4H3
InChIKeyYBSZGTJYAGIXMG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.70
Rot. Bonds4

About 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 54862093) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID54862093
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCCc1cccc(C)c1NC(C)C1CCN(C)CC1
InChIInChI=1S/C17H28N2/c1-5-15-8-6-7-13(2)17(15)18-14(3)16-9-11-19(4)12-10-16/h6-8,14,16,18H,5,9-12H2,1-4H3
InChIKeyYBSZGTJYAGIXMG-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 54862093) is 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is CCc1cccc(C)c1NC(C)C1CCN(C)CC1.
What is the InChIKey of 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is YBSZGTJYAGIXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-15-8-6-7-13(2)17(15)18-14(3)16-9-11-19(4)12-10-16/h6-8,14,16,18H,5,9-12H2,1-4H3.
What are the key properties of 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 54862093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).