4-pentyl-N-phenylpiperazin-1-amine

C15H25N3 — CID 70080932

IUPAC4-pentyl-N-phenylpiperazin-1-amine
SMILESCCCCCN1CCN(Nc2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-7-10-17-11-13-18(14-12-17)16-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3
InChIKeyBQSSQVHTFDHLCT-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds6

About 4-pentyl-N-phenylpiperazin-1-amine

4-pentyl-N-phenylpiperazin-1-amine (PubChem CID 70080932) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-pentyl-N-phenylpiperazin-1-amine.

Molecular Properties

Compound Name4-pentyl-N-phenylpiperazin-1-amine
PubChem CID70080932
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-pentyl-N-phenylpiperazin-1-amine
SMILESCCCCCN1CCN(Nc2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-7-10-17-11-13-18(14-12-17)16-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3
InChIKeyBQSSQVHTFDHLCT-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-phenylpiperazin-1-amine?
The IUPAC name of 4-pentyl-N-phenylpiperazin-1-amine (CID 70080932) is 4-pentyl-N-phenylpiperazin-1-amine.
What is the SMILES notation for 4-pentyl-N-phenylpiperazin-1-amine?
The canonical SMILES for 4-pentyl-N-phenylpiperazin-1-amine is CCCCCN1CCN(Nc2ccccc2)CC1.
What is the InChIKey of 4-pentyl-N-phenylpiperazin-1-amine?
The InChIKey is BQSSQVHTFDHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-7-10-17-11-13-18(14-12-17)16-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3.
What are the key properties of 4-pentyl-N-phenylpiperazin-1-amine?
4-pentyl-N-phenylpiperazin-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-phenylpiperazin-1-amine is sourced from PubChem (CID 70080932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).