benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate

C15H18F3N3O2 — CID 123614837

IUPACbenzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=NNCC(F)(F)F)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-19-20-13-6-8-21(9-7-13)14(22)23-10-12-4-2-1-3-5-12/h1-5,19H,6-11H2
InChIKeyCFFYPJZJVJYKPO-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.93
Rot. Bonds4

About benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate

benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate (PubChem CID 123614837) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate
PubChem CID123614837
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Namebenzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=NNCC(F)(F)F)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-19-20-13-6-8-21(9-7-13)14(22)23-10-12-4-2-1-3-5-12/h1-5,19H,6-11H2
InChIKeyCFFYPJZJVJYKPO-UHFFFAOYSA-N
XLogP2.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
dibenzyl 3-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-1,5-diazocane-1,5-dicarboxylate
CID 59142715
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
4-oxo-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 53249825
benzyl 4-fluoro-5-oxoazocane-1-carboxylate
CID 122547365
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2,2,4-trifluoro-3-oxobutanoyl)piperazine-1-carboxylate
CID 87446866
1-O-benzyl 4-O-methyl 5-hydroxy-2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 59142733
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (4S)-4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59142710

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate (CID 123614837) is benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(=NNCC(F)(F)F)CC1.
What is the InChIKey of benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate?
The InChIKey is CFFYPJZJVJYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)11-19-20-13-6-8-21(9-7-13)14(22)23-10-12-4-2-1-3-5-12/h1-5,19H,6-11H2.
What are the key properties of benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate?
benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate has a molecular weight of 329.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,2,2-trifluoroethylhydrazinylidene)piperidine-1-carboxylate is sourced from PubChem (CID 123614837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).