(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene

C21H32F3N3 — CID 176921222

IUPAC(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene
SMILESCCCC/C(C)=C\C(=N/C)N1CCNCC1.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H25N3.C8H7F3/c1-4-5-6-12(2)11-13(14-3)16-9-7-15-8-10-16;1-6-2-4-7(5-3-6)8(9,10)11/h11,15H,4-10H2,1-3H3;2-5H,1H3/b12-11-,14-13+;
InChIKeyJCZJCZWGNMWQDG-FPSABMFXSA-N
MW383.50 g/mol
LogP5.07
Rot. Bonds4

About (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene

(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene (PubChem CID 176921222) has the molecular formula C21H32F3N3 and a molecular weight of 383.50 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene
PubChem CID176921222
Molecular FormulaC21H32F3N3
Molecular Weight383.50 g/mol
Exact Mass383.25
IUPAC Name(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene
SMILESCCCC/C(C)=C\C(=N/C)N1CCNCC1.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H25N3.C8H7F3/c1-4-5-6-12(2)11-13(14-3)16-9-7-15-8-10-16;1-6-2-4-7(5-3-6)8(9,10)11/h11,15H,4-10H2,1-3H3;2-5H,1H3/b12-11-,14-13+;
InChIKeyJCZJCZWGNMWQDG-FPSABMFXSA-N
XLogP5.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene (CID 176921222) is (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene is CCCC/C(C)=C\C(=N/C)N1CCNCC1.Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is JCZJCZWGNMWQDG-FPSABMFXSA-N. The full InChI is InChI=1S/C13H25N3.C8H7F3/c1-4-5-6-12(2)11-13(14-3)16-9-7-15-8-10-16;1-6-2-4-7(5-3-6)8(9,10)11/h11,15H,4-10H2,1-3H3;2-5H,1H3/b12-11-,14-13+;.
What are the key properties of (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene?
(Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 383.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-1-piperazin-1-ylhept-2-en-1-imine;1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 176921222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).