N-ethyl-2-piperazin-2-ylaniline

C12H19N3 — CID 88527382

IUPACN-ethyl-2-piperazin-2-ylaniline
SMILESCCNc1ccccc1C1CNCCN1
InChIInChI=1S/C12H19N3/c1-2-14-11-6-4-3-5-10(11)12-9-13-7-8-15-12/h3-6,12-15H,2,7-9H2,1H3
InChIKeyNFYDFNYCGUXHMU-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.35
Rot. Bonds3

About N-ethyl-2-piperazin-2-ylaniline

N-ethyl-2-piperazin-2-ylaniline (PubChem CID 88527382) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-ethyl-2-piperazin-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-2-piperazin-2-ylaniline
PubChem CID88527382
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-ethyl-2-piperazin-2-ylaniline
SMILESCCNc1ccccc1C1CNCCN1
InChIInChI=1S/C12H19N3/c1-2-14-11-6-4-3-5-10(11)12-9-13-7-8-15-12/h3-6,12-15H,2,7-9H2,1H3
InChIKeyNFYDFNYCGUXHMU-UHFFFAOYSA-N
XLogP1.35
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperazin-2-ylaniline?
The IUPAC name of N-ethyl-2-piperazin-2-ylaniline (CID 88527382) is N-ethyl-2-piperazin-2-ylaniline.
What is the SMILES notation for N-ethyl-2-piperazin-2-ylaniline?
The canonical SMILES for N-ethyl-2-piperazin-2-ylaniline is CCNc1ccccc1C1CNCCN1.
What is the InChIKey of N-ethyl-2-piperazin-2-ylaniline?
The InChIKey is NFYDFNYCGUXHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-14-11-6-4-3-5-10(11)12-9-13-7-8-15-12/h3-6,12-15H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-piperazin-2-ylaniline?
N-ethyl-2-piperazin-2-ylaniline has a molecular weight of 205.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperazin-2-ylaniline is sourced from PubChem (CID 88527382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).