3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine

C17H28N2 — CID 64926626

IUPAC3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
SMILESCC(C)CC(C)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)12-15(3)19-11-10-18-17(4,13-19)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3
InChIKeyZEBHYNQDIJHVGU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds4

About 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine

3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine (PubChem CID 64926626) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
PubChem CID64926626
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
SMILESCC(C)CC(C)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)12-15(3)19-11-10-18-17(4,13-19)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3
InChIKeyZEBHYNQDIJHVGU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine (CID 64926626) is 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine is CC(C)CC(C)N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine?
The InChIKey is ZEBHYNQDIJHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)12-15(3)19-11-10-18-17(4,13-19)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3.
What are the key properties of 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine?
3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine is sourced from PubChem (CID 64926626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).