2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine

C19H32N2 — CID 64930564

IUPAC2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-17-13-20-19(7-2,8-3)14-21(17)18-11-9-16(10-12-18)15(4)5/h9-12,15,17,20H,6-8,13-14H2,1-5H3
InChIKeyVEIVPGXKZISVLH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.56
Rot. Bonds5

About 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine

2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine (PubChem CID 64930564) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
PubChem CID64930564
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(CC)(CC)CN1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-17-13-20-19(7-2,8-3)14-21(17)18-11-9-16(10-12-18)15(4)5/h9-12,15,17,20H,6-8,13-14H2,1-5H3
InChIKeyVEIVPGXKZISVLH-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine (CID 64930564) is 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine is CCC1CNC(CC)(CC)CN1c1ccc(C(C)C)cc1.
What is the InChIKey of 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine?
The InChIKey is VEIVPGXKZISVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-17-13-20-19(7-2,8-3)14-21(17)18-11-9-16(10-12-18)15(4)5/h9-12,15,17,20H,6-8,13-14H2,1-5H3.
What are the key properties of 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine?
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64930564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).