(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one

C14H26N2O — CID 56865813

IUPAC(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one
SMILESCC/C=C/CC(=O)N1CCN(CC)C(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-5-7-8-9-13(17)15-10-11-16(6-2)14(3,4)12-15/h7-8H,5-6,9-12H2,1-4H3/b8-7+
InChIKeyKBNLSYIVYAXQQU-BQYQJAHWSA-N
MW238.37 g/mol
LogP2.29
Rot. Bonds4

About (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one

(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one (PubChem CID 56865813) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one
PubChem CID56865813
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one
SMILESCC/C=C/CC(=O)N1CCN(CC)C(C)(C)C1
InChIInChI=1S/C14H26N2O/c1-5-7-8-9-13(17)15-10-11-16(6-2)14(3,4)12-15/h7-8H,5-6,9-12H2,1-4H3/b8-7+
InChIKeyKBNLSYIVYAXQQU-BQYQJAHWSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one?
The IUPAC name of (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one (CID 56865813) is (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one.
What is the SMILES notation for (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one?
The canonical SMILES for (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one is CC/C=C/CC(=O)N1CCN(CC)C(C)(C)C1.
What is the InChIKey of (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one?
The InChIKey is KBNLSYIVYAXQQU-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-7-8-9-13(17)15-10-11-16(6-2)14(3,4)12-15/h7-8H,5-6,9-12H2,1-4H3/b8-7+.
What are the key properties of (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one?
(E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethyl-3,3-dimethylpiperazin-1-yl)hex-3-en-1-one is sourced from PubChem (CID 56865813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).