(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate

C19H17F3N2O2 — CID 89207265

IUPAC(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate
SMILESCc1cccc(C=C2CCN(C(=O)Oc3ccc(F)c(F)c3F)CC2)n1
InChIInChI=1S/C19H17F3N2O2/c1-12-3-2-4-14(23-12)11-13-7-9-24(10-8-13)19(25)26-16-6-5-15(20)17(21)18(16)22/h2-6,11H,7-10H2,1H3
InChIKeyLHSXEGJNECDJPC-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.49
Rot. Bonds2

About (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate

(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate (PubChem CID 89207265) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate
PubChem CID89207265
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate
SMILESCc1cccc(C=C2CCN(C(=O)Oc3ccc(F)c(F)c3F)CC2)n1
InChIInChI=1S/C19H17F3N2O2/c1-12-3-2-4-14(23-12)11-13-7-9-24(10-8-13)19(25)26-16-6-5-15(20)17(21)18(16)22/h2-6,11H,7-10H2,1H3
InChIKeyLHSXEGJNECDJPC-UHFFFAOYSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635895
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid phenyl ester
CID 44403559
(6-Cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
CID 155530277
3-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635634
4-(Trifluoromethyl)phenyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 46880022
4-(Trifluoromethyl)phenyl 4-(quinolin-2-ylmethyl)piperazine-1-carboxylate
CID 46880023
2-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23636022
N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 122196567
Ammonium, diisopropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
CID 48502
2-[(4-Methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine
CID 95808921
1-[4-(6-Phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
1-[2-[6-(2-Fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate?
The IUPAC name of (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate (CID 89207265) is (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate.
What is the SMILES notation for (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate?
The canonical SMILES for (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate is Cc1cccc(C=C2CCN(C(=O)Oc3ccc(F)c(F)c3F)CC2)n1.
What is the InChIKey of (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate?
The InChIKey is LHSXEGJNECDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-3-2-4-14(23-12)11-13-7-9-24(10-8-13)19(25)26-16-6-5-15(20)17(21)18(16)22/h2-6,11H,7-10H2,1H3.
What are the key properties of (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate?
(2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl) 4-[(6-methyl-2-pyridinyl)methylidene]piperidine-1-carboxylate is sourced from PubChem (CID 89207265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).