2,5-dimethyl-1-pentyl-2-phenylpiperazine

C17H28N2 — CID 64845156

IUPAC2,5-dimethyl-1-pentyl-2-phenylpiperazine
SMILESCCCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-5-9-12-19-13-15(2)18-14-17(19,3)16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3
InChIKeyYPTATUZORKLFMZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.39
Rot. Bonds5

About 2,5-dimethyl-1-pentyl-2-phenylpiperazine

2,5-dimethyl-1-pentyl-2-phenylpiperazine (PubChem CID 64845156) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,5-dimethyl-1-pentyl-2-phenylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-pentyl-2-phenylpiperazine
PubChem CID64845156
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,5-dimethyl-1-pentyl-2-phenylpiperazine
SMILESCCCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-5-9-12-19-13-15(2)18-14-17(19,3)16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3
InChIKeyYPTATUZORKLFMZ-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.39
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 2,5-dimethyl-1-pentyl-2-phenylpiperazine?
The IUPAC name of 2,5-dimethyl-1-pentyl-2-phenylpiperazine (CID 64845156) is 2,5-dimethyl-1-pentyl-2-phenylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-pentyl-2-phenylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-pentyl-2-phenylpiperazine is CCCCCN1CC(C)NCC1(C)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-pentyl-2-phenylpiperazine?
The InChIKey is YPTATUZORKLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-9-12-19-13-15(2)18-14-17(19,3)16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-pentyl-2-phenylpiperazine?
2,5-dimethyl-1-pentyl-2-phenylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-pentyl-2-phenylpiperazine is sourced from PubChem (CID 64845156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).