3-(2-piperazin-1-ylethyl)aniline

C12H19N3 — CID 82071066

IUPAC3-(2-piperazin-1-ylethyl)aniline
SMILESNc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C12H19N3/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9,13H2
InChIKeyYTSYUYHSNBYTPS-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.72
Rot. Bonds3

About 3-(2-piperazin-1-ylethyl)aniline

3-(2-piperazin-1-ylethyl)aniline (PubChem CID 82071066) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethyl)aniline
PubChem CID82071066
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(2-piperazin-1-ylethyl)aniline
SMILESNc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C12H19N3/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9,13H2
InChIKeyYTSYUYHSNBYTPS-UHFFFAOYSA-N
XLogP0.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
3-[2-(4-benzylpiperazin-1-yl)ethyl]aniline
CID 28720911
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890
3-[2-(4-tert-butylpiperazin-1-yl)ethyl]aniline
CID 65349893
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 65350223

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of 3-(2-piperazin-1-ylethyl)aniline (CID 82071066) is 3-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for 3-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for 3-(2-piperazin-1-ylethyl)aniline is Nc1cccc(CCN2CCNCC2)c1.
What is the InChIKey of 3-(2-piperazin-1-ylethyl)aniline?
The InChIKey is YTSYUYHSNBYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9,13H2.
What are the key properties of 3-(2-piperazin-1-ylethyl)aniline?
3-(2-piperazin-1-ylethyl)aniline has a molecular weight of 205.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 82071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).