5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine

C17H26N2 — CID 64859679

IUPAC5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C17H26N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h4,7-11,16,18H,1,5-6,12-14H2,2-3H3
InChIKeyJWORKHPDCDHFAK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.38
Rot. Bonds5

About 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine

5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine (PubChem CID 64859679) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine
PubChem CID64859679
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C17H26N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h4,7-11,16,18H,1,5-6,12-14H2,2-3H3
InChIKeyJWORKHPDCDHFAK-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine?
The IUPAC name of 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine (CID 64859679) is 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine?
The canonical SMILES for 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine is C=CCN1CC(CC)(CC)NCC1c1ccccc1.
What is the InChIKey of 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine?
The InChIKey is JWORKHPDCDHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h4,7-11,16,18H,1,5-6,12-14H2,2-3H3.
What are the key properties of 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine?
5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64859679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).