5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine

C19H32N2 — CID 64875620

IUPAC5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine
SMILESCCC1(C)CN(CCC(C)C)C(C)(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-6-18(4)15-21(13-12-16(2)3)19(5,14-20-18)17-10-8-7-9-11-17/h7-11,16,20H,6,12-15H2,1-5H3
InChIKeyCTPADUUGWXPGOC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds5

About 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine

5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine (PubChem CID 64875620) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine
PubChem CID64875620
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine
SMILESCCC1(C)CN(CCC(C)C)C(C)(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-6-18(4)15-21(13-12-16(2)3)19(5,14-20-18)17-10-8-7-9-11-17/h7-11,16,20H,6,12-15H2,1-5H3
InChIKeyCTPADUUGWXPGOC-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine?
The IUPAC name of 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine (CID 64875620) is 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine?
The canonical SMILES for 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine is CCC1(C)CN(CCC(C)C)C(C)(c2ccccc2)CN1.
What is the InChIKey of 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine?
The InChIKey is CTPADUUGWXPGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-18(4)15-21(13-12-16(2)3)19(5,14-20-18)17-10-8-7-9-11-17/h7-11,16,20H,6,12-15H2,1-5H3.
What are the key properties of 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine?
5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-1-(3-methylbutyl)-2-phenylpiperazine is sourced from PubChem (CID 64875620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).