2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine

C17H28N2 — CID 64832933

IUPAC2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCCCC1CNCCN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H28N2/c1-5-6-16-11-18-7-8-19(16)12-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,5-8,11-12H2,1-4H3
InChIKeyQUQAGCAOKKLQTJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.19
Rot. Bonds4

About 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine

2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine (PubChem CID 64832933) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
PubChem CID64832933
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCCCC1CNCCN1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H28N2/c1-5-6-16-11-18-7-8-19(16)12-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,5-8,11-12H2,1-4H3
InChIKeyQUQAGCAOKKLQTJ-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The IUPAC name of 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine (CID 64832933) is 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine is CCCC1CNCCN1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The InChIKey is QUQAGCAOKKLQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-6-16-11-18-7-8-19(16)12-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,5-8,11-12H2,1-4H3.
What are the key properties of 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 64832933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).