2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine

C17H28N2 — CID 64877650

IUPAC2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
SMILESCCC(C)CN1CC(c2ccccc2)NCC1CC
InChIInChI=1S/C17H28N2/c1-4-14(3)12-19-13-17(18-11-16(19)5-2)15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3
InChIKeyFMVLXIRAYJWLLV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine

2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine (PubChem CID 64877650) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
PubChem CID64877650
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
SMILESCCC(C)CN1CC(c2ccccc2)NCC1CC
InChIInChI=1S/C17H28N2/c1-4-14(3)12-19-13-17(18-11-16(19)5-2)15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3
InChIKeyFMVLXIRAYJWLLV-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
1-(cyclobutylmethyl)-2-ethyl-5-phenylpiperazine
CID 64933650
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230
1-(2-cyclopentylethyl)-2-ethyl-5-phenylpiperazine
CID 64935708
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
2-cyclopropyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64876312
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64947268
2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940036

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine?
The IUPAC name of 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine (CID 64877650) is 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine.
What is the SMILES notation for 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine?
The canonical SMILES for 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine is CCC(C)CN1CC(c2ccccc2)NCC1CC.
What is the InChIKey of 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine?
The InChIKey is FMVLXIRAYJWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14(3)12-19-13-17(18-11-16(19)5-2)15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine?
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine is sourced from PubChem (CID 64877650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).