2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine

C19H32N2 — CID 64878424

IUPAC2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
SMILESCCCCCN1CC(c2ccccc2)NCC1CC(C)C
InChIInChI=1S/C19H32N2/c1-4-5-9-12-21-15-19(17-10-7-6-8-11-17)20-14-18(21)13-16(2)3/h6-8,10-11,16,18-20H,4-5,9,12-15H2,1-3H3
InChIKeyQJDBONDKAHKIJV-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds7

About 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine

2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine (PubChem CID 64878424) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
PubChem CID64878424
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
SMILESCCCCCN1CC(c2ccccc2)NCC1CC(C)C
InChIInChI=1S/C19H32N2/c1-4-5-9-12-21-15-19(17-10-7-6-8-11-17)20-14-18(21)13-16(2)3/h6-8,10-11,16,18-20H,4-5,9,12-15H2,1-3H3
InChIKeyQJDBONDKAHKIJV-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine?
The IUPAC name of 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine (CID 64878424) is 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine is CCCCCN1CC(c2ccccc2)NCC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine?
The InChIKey is QJDBONDKAHKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-9-12-21-15-19(17-10-7-6-8-11-17)20-14-18(21)13-16(2)3/h6-8,10-11,16,18-20H,4-5,9,12-15H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine?
2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine is sourced from PubChem (CID 64878424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).