(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine

C10H15F3N4 — CID 143144461

IUPAC(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine
SMILESC=N/C=C(\N=C/CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-14-8-9(16-3-2-10(11,12)13)17-6-4-15-5-7-17/h3,8,15H,1-2,4-7H2/b9-8+,16-3-
InChIKeyCDTQIALDJHJMPR-RUUITORRSA-N
MW248.25 g/mol
LogP1.41
Rot. Bonds4

About (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine

(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine (PubChem CID 143144461) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine
PubChem CID143144461
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine
SMILESC=N/C=C(\N=C/CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-14-8-9(16-3-2-10(11,12)13)17-6-4-15-5-7-17/h3,8,15H,1-2,4-7H2/b9-8+,16-3-
InChIKeyCDTQIALDJHJMPR-RUUITORRSA-N
XLogP1.41
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine?
The IUPAC name of (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine (CID 143144461) is (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine?
The canonical SMILES for (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine is C=N/C=C(\N=C/CC(F)(F)F)N1CCNCC1.
What is the InChIKey of (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine?
The InChIKey is CDTQIALDJHJMPR-RUUITORRSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-14-8-9(16-3-2-10(11,12)13)17-6-4-15-5-7-17/h3,8,15H,1-2,4-7H2/b9-8+,16-3-.
What are the key properties of (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine?
(Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine has a molecular weight of 248.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-N-[(Z)-2-(methylideneamino)-1-piperazin-1-ylethenyl]propan-1-imine is sourced from PubChem (CID 143144461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).