(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one

C14H25N3O — CID 144720917

IUPAC(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one
SMILESCC/C(C)=C/C(=N\C)C(=O)N1C(C)CNC[C@H]1C
InChIInChI=1S/C14H25N3O/c1-6-10(2)7-13(15-5)14(18)17-11(3)8-16-9-12(17)4/h7,11-12,16H,6,8-9H2,1-5H3/b10-7+,15-13+/t11-,12?/m1/s1
InChIKeyNYMXWHVIFADXRC-QNPNWVDYSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds3

About (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one

(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one (PubChem CID 144720917) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one
PubChem CID144720917
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one
SMILESCC/C(C)=C/C(=N\C)C(=O)N1C(C)CNC[C@H]1C
InChIInChI=1S/C14H25N3O/c1-6-10(2)7-13(15-5)14(18)17-11(3)8-16-9-12(17)4/h7,11-12,16H,6,8-9H2,1-5H3/b10-7+,15-13+/t11-,12?/m1/s1
InChIKeyNYMXWHVIFADXRC-QNPNWVDYSA-N
XLogP1.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one?
The IUPAC name of (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one (CID 144720917) is (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one is CC/C(C)=C/C(=N\C)C(=O)N1C(C)CNC[C@H]1C.
What is the InChIKey of (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one?
The InChIKey is NYMXWHVIFADXRC-QNPNWVDYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-10(2)7-13(15-5)14(18)17-11(3)8-16-9-12(17)4/h7,11-12,16H,6,8-9H2,1-5H3/b10-7+,15-13+/t11-,12?/m1/s1.
What are the key properties of (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one?
(E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one has a molecular weight of 251.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2,6-dimethylpiperazin-1-yl]-4-methyl-2-methyliminohex-3-en-1-one is sourced from PubChem (CID 144720917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).