ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C14H17F3N2O3 — CID 71798740

IUPACethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H17F3N2O3/c1-2-21-13(20)19-7-5-11(6-8-19)22-12-4-3-10(9-18-12)14(15,16)17/h3-4,9,11H,2,5-8H2,1H3
InChIKeyYWMBTWDYNBRYCP-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.10
Rot. Bonds3

About ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 71798740) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID71798740
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Nameethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H17F3N2O3/c1-2-21-13(20)19-7-5-11(6-8-19)22-12-4-3-10(9-18-12)14(15,16)17/h3-4,9,11H,2,5-8H2,1H3
InChIKeyYWMBTWDYNBRYCP-UHFFFAOYSA-N
XLogP3.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Methyl-phenyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 10150601
Morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635512
2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635513
Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635515
Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635516
(4-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635633
4-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635635
4-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester
CID 23635636
4-Hydroxy-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635637

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 71798740) is ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is YWMBTWDYNBRYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-2-21-13(20)19-7-5-11(6-8-19)22-12-4-3-10(9-18-12)14(15,16)17/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 71798740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).