2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one

C15H27N3O — CID 156707741

IUPAC2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one
SMILESCC/C=C\C(CN1CCN(C(=O)C(C)C)CC1)=N/C
InChIInChI=1S/C15H27N3O/c1-5-6-7-14(16-4)12-17-8-10-18(11-9-17)15(19)13(2)3/h6-7,13H,5,8-12H2,1-4H3/b7-6-,16-14+
InChIKeyBGFPBYCZHPCGQX-VGGPMKHUSA-N
MW265.40 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one (PubChem CID 156707741) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one
PubChem CID156707741
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one
SMILESCC/C=C\C(CN1CCN(C(=O)C(C)C)CC1)=N/C
InChIInChI=1S/C15H27N3O/c1-5-6-7-14(16-4)12-17-8-10-18(11-9-17)15(19)13(2)3/h6-7,13H,5,8-12H2,1-4H3/b7-6-,16-14+
InChIKeyBGFPBYCZHPCGQX-VGGPMKHUSA-N
XLogP1.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one (CID 156707741) is 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one is CC/C=C\C(CN1CCN(C(=O)C(C)C)CC1)=N/C.
What is the InChIKey of 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one?
The InChIKey is BGFPBYCZHPCGQX-VGGPMKHUSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-6-7-14(16-4)12-17-8-10-18(11-9-17)15(19)13(2)3/h6-7,13H,5,8-12H2,1-4H3/b7-6-,16-14+.
What are the key properties of 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one has a molecular weight of 265.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(Z)-2-methyliminohex-3-enyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 156707741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).