2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine

C16H26N2 — CID 65461902

IUPAC2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine
SMILESCC(C)C(c1ccccc1)N1CCNCC1(C)C
InChIInChI=1S/C16H26N2/c1-13(2)15(14-8-6-5-7-9-14)18-11-10-17-12-16(18,3)4/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyVQLWTDATHAXPKC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds3

About 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine

2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine (PubChem CID 65461902) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine
PubChem CID65461902
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine
SMILESCC(C)C(c1ccccc1)N1CCNCC1(C)C
InChIInChI=1S/C16H26N2/c1-13(2)15(14-8-6-5-7-9-14)18-11-10-17-12-16(18,3)4/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyVQLWTDATHAXPKC-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine (CID 65461902) is 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine is CC(C)C(c1ccccc1)N1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine?
The InChIKey is VQLWTDATHAXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15(14-8-6-5-7-9-14)18-11-10-17-12-16(18,3)4/h5-9,13,15,17H,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine?
2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine is sourced from PubChem (CID 65461902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).