N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine

C15H26F2N2 — CID 167042433

IUPACN-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine
SMILESC/C=C(CCC1C(C)CC(F)(F)CN1C)\N=C\CC
InChIInChI=1S/C15H26F2N2/c1-5-9-18-13(6-2)7-8-14-12(3)10-15(16,17)11-19(14)4/h6,9,12,14H,5,7-8,10-11H2,1-4H3/b13-6-,18-9+
InChIKeyIOLWMJZSDOUDQH-RMSYFVAQSA-N
MW272.38 g/mol
LogP4.13
Rot. Bonds5

About N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine

N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine (PubChem CID 167042433) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine
PubChem CID167042433
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC NameN-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine
SMILESC/C=C(CCC1C(C)CC(F)(F)CN1C)\N=C\CC
InChIInChI=1S/C15H26F2N2/c1-5-9-18-13(6-2)7-8-14-12(3)10-15(16,17)11-19(14)4/h6,9,12,14H,5,7-8,10-11H2,1-4H3/b13-6-,18-9+
InChIKeyIOLWMJZSDOUDQH-RMSYFVAQSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine?
The IUPAC name of N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine (CID 167042433) is N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine.
What is the SMILES notation for N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine?
The canonical SMILES for N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine is C/C=C(CCC1C(C)CC(F)(F)CN1C)\N=C\CC.
What is the InChIKey of N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine?
The InChIKey is IOLWMJZSDOUDQH-RMSYFVAQSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-5-9-18-13(6-2)7-8-14-12(3)10-15(16,17)11-19(14)4/h6,9,12,14H,5,7-8,10-11H2,1-4H3/b13-6-,18-9+.
What are the key properties of N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine?
N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine has a molecular weight of 272.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine is sourced from PubChem (CID 167042433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).