ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

C16H20F3N3O2 — CID 4246663

IUPACethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C16H20F3N3O2/c1-2-24-15(23)14(22-9-4-3-5-10-22)21-20-13-8-6-7-12(11-13)16(17,18)19/h6-8,11,20H,2-5,9-10H2,1H3
InChIKeyPMVILTUIYRMGHK-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.48
Rot. Bonds3

About ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (PubChem CID 4246663) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
PubChem CID4246663
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Nameethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C16H20F3N3O2/c1-2-24-15(23)14(22-9-4-3-5-10-22)21-20-13-8-6-7-12(11-13)16(17,18)19/h6-8,11,20H,2-5,9-10H2,1H3
InChIKeyPMVILTUIYRMGHK-UHFFFAOYSA-N
XLogP3.48
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2309713
ethyl 2-morpholin-4-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2308619
ethyl 2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4152689
ethyl (2Z)-2-(2,6-dimethylpiperidin-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6517199
ethyl 2-(2-ethylpiperidin-1-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4101146
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2316158
ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2761310
ethyl (2E)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetate
CID 6264442
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
CID 12721841
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6517601
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (CID 4246663) is ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The InChIKey is PMVILTUIYRMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-2-24-15(23)14(22-9-4-3-5-10-22)21-20-13-8-6-7-12(11-13)16(17,18)19/h6-8,11,20H,2-5,9-10H2,1H3.
What are the key properties of ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate has a molecular weight of 343.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 4246663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).