5-ethyl-2-methyl-4-piperidin-4-ylaniline

C14H22N2 — CID 58255146

IUPAC5-ethyl-2-methyl-4-piperidin-4-ylaniline
SMILESCCc1cc(N)c(C)cc1C1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-11-9-14(15)10(2)8-13(11)12-4-6-16-7-5-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyFGHJLZUZRQGQBL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.61
Rot. Bonds2

About 5-ethyl-2-methyl-4-piperidin-4-ylaniline

5-ethyl-2-methyl-4-piperidin-4-ylaniline (PubChem CID 58255146) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-piperidin-4-ylaniline
PubChem CID58255146
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-ethyl-2-methyl-4-piperidin-4-ylaniline
SMILESCCc1cc(N)c(C)cc1C1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-11-9-14(15)10(2)8-13(11)12-4-6-16-7-5-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyFGHJLZUZRQGQBL-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 5-ethyl-2-methyl-4-piperidin-4-ylaniline?
The IUPAC name of 5-ethyl-2-methyl-4-piperidin-4-ylaniline (CID 58255146) is 5-ethyl-2-methyl-4-piperidin-4-ylaniline.
What is the SMILES notation for 5-ethyl-2-methyl-4-piperidin-4-ylaniline?
The canonical SMILES for 5-ethyl-2-methyl-4-piperidin-4-ylaniline is CCc1cc(N)c(C)cc1C1CCNCC1.
What is the InChIKey of 5-ethyl-2-methyl-4-piperidin-4-ylaniline?
The InChIKey is FGHJLZUZRQGQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11-9-14(15)10(2)8-13(11)12-4-6-16-7-5-12/h8-9,12,16H,3-7,15H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-piperidin-4-ylaniline?
5-ethyl-2-methyl-4-piperidin-4-ylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-piperidin-4-ylaniline is sourced from PubChem (CID 58255146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).