2-(2-pentylpiperazin-1-yl)aniline

C15H25N3 — CID 70084517

IUPAC2-(2-pentylpiperazin-1-yl)aniline
SMILESCCCCCC1CNCCN1c1ccccc1N
InChIInChI=1S/C15H25N3/c1-2-3-4-7-13-12-17-10-11-18(13)15-9-6-5-8-14(15)16/h5-6,8-9,13,17H,2-4,7,10-12,16H2,1H3
InChIKeyMDOLEQCIKVQINI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.63
Rot. Bonds5

About 2-(2-pentylpiperazin-1-yl)aniline

2-(2-pentylpiperazin-1-yl)aniline (PubChem CID 70084517) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(2-pentylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-(2-pentylpiperazin-1-yl)aniline
PubChem CID70084517
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(2-pentylpiperazin-1-yl)aniline
SMILESCCCCCC1CNCCN1c1ccccc1N
InChIInChI=1S/C15H25N3/c1-2-3-4-7-13-12-17-10-11-18(13)15-9-6-5-8-14(15)16/h5-6,8-9,13,17H,2-4,7,10-12,16H2,1H3
InChIKeyMDOLEQCIKVQINI-UHFFFAOYSA-N
XLogP2.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pentylpiperazin-1-yl)aniline?
The IUPAC name of 2-(2-pentylpiperazin-1-yl)aniline (CID 70084517) is 2-(2-pentylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-(2-pentylpiperazin-1-yl)aniline?
The canonical SMILES for 2-(2-pentylpiperazin-1-yl)aniline is CCCCCC1CNCCN1c1ccccc1N.
What is the InChIKey of 2-(2-pentylpiperazin-1-yl)aniline?
The InChIKey is MDOLEQCIKVQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-7-13-12-17-10-11-18(13)15-9-6-5-8-14(15)16/h5-6,8-9,13,17H,2-4,7,10-12,16H2,1H3.
What are the key properties of 2-(2-pentylpiperazin-1-yl)aniline?
2-(2-pentylpiperazin-1-yl)aniline has a molecular weight of 247.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentylpiperazin-1-yl)aniline is sourced from PubChem (CID 70084517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).