N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline

C18H30N2 — CID 20559962

IUPACN-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline
SMILESCCNc1ccccc1CCC1CCC(CC)CN1C
InChIInChI=1S/C18H30N2/c1-4-15-10-12-17(20(3)14-15)13-11-16-8-6-7-9-18(16)19-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyTVUZPFRIOBLKFG-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.17
Rot. Bonds6

About N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline

N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 20559962) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID20559962
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline
SMILESCCNc1ccccc1CCC1CCC(CC)CN1C
InChIInChI=1S/C18H30N2/c1-4-15-10-12-17(20(3)14-15)13-11-16-8-6-7-9-18(16)19-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyTVUZPFRIOBLKFG-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline (CID 20559962) is N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline is CCNc1ccccc1CCC1CCC(CC)CN1C.
What is the InChIKey of N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is TVUZPFRIOBLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15-10-12-17(20(3)14-15)13-11-16-8-6-7-9-18(16)19-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline?
N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 20559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).