ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

C14H17F3N2O2 — CID 4737359

IUPACethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-13(20)10-4-3-7-19(9-10)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyHZOIHCLLTVIKNY-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.88
Rot. Bonds3

About ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (PubChem CID 4737359) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
PubChem CID4737359
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Nameethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-13(20)10-4-3-7-19(9-10)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyHZOIHCLLTVIKNY-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
CID 23477113
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
ethyl (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 40649668
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 155199367
ethyl (3S)-1-[2-[(2-aminoimidazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 140907725
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (CID 4737359) is ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The InChIKey is HZOIHCLLTVIKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-21-13(20)10-4-3-7-19(9-10)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate has a molecular weight of 302.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 4737359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).