3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

C15H25N3 — CID 65349890

IUPAC3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-13(2)18-10-8-17(9-11-18)7-6-14-4-3-5-15(16)12-14/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyKRWDCUSBIIMYHL-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.84
Rot. Bonds4

About 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 65349890) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID65349890
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-13(2)18-10-8-17(9-11-18)7-6-14-4-3-5-15(16)12-14/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyKRWDCUSBIIMYHL-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 4296
CID 4296
CID 67364
CID 67364
CID 87984
CID 87984
CID 121930
CID 121930
CID 3084246
CID 3084246
CID 120540
CID 120540
CID 693288
CID 693288
CID 1096407
CID 1096407
CID 70541
CID 70541
CID 91965
CID 91965
CID 2723782
CID 2723782
CID 743379
CID 743379

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (CID 65349890) is 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is CC(C)N1CCN(CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is KRWDCUSBIIMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)18-10-8-17(9-11-18)7-6-14-4-3-5-15(16)12-14/h3-5,12-13H,6-11,16H2,1-2H3.
What are the key properties of 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 65349890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).