ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate

C19H24F3NO2 — CID 118550905

IUPACethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate
SMILESCCOC(=O)/C=C/CCc1cc(C(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C19H24F3NO2/c1-2-25-18(24)6-4-3-5-15-13-16(19(20,21)22)7-8-17(15)14-9-11-23-12-10-14/h4,6-8,13-14,23H,2-3,5,9-12H2,1H3/b6-4+
InChIKeyKMVOBANIYUPCBY-GQCTYLIASA-N
MW355.40 g/mol
LogP4.22
Rot. Bonds6

About ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate

ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate (PubChem CID 118550905) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate
PubChem CID118550905
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Nameethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate
SMILESCCOC(=O)/C=C/CCc1cc(C(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C19H24F3NO2/c1-2-25-18(24)6-4-3-5-15-13-16(19(20,21)22)7-8-17(15)14-9-11-23-12-10-14/h4,6-8,13-14,23H,2-3,5,9-12H2,1H3/b6-4+
InChIKeyKMVOBANIYUPCBY-GQCTYLIASA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate?
The IUPAC name of ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate (CID 118550905) is ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate?
The canonical SMILES for ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate is CCOC(=O)/C=C/CCc1cc(C(F)(F)F)ccc1C1CCNCC1.
What is the InChIKey of ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate?
The InChIKey is KMVOBANIYUPCBY-GQCTYLIASA-N. The full InChI is InChI=1S/C19H24F3NO2/c1-2-25-18(24)6-4-3-5-15-13-16(19(20,21)22)7-8-17(15)14-9-11-23-12-10-14/h4,6-8,13-14,23H,2-3,5,9-12H2,1H3/b6-4+.
What are the key properties of ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate?
ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate has a molecular weight of 355.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pent-2-enoate is sourced from PubChem (CID 118550905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).