[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate

C13H16F3N3O3 — CID 175142659

IUPAC[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2cccc(OCC(F)(F)F)n2)C1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)8-21-11-5-1-4-10(18-11)19-6-2-3-9(7-19)22-12(17)20/h1,4-5,9H,2-3,6-8H2,(H2,17,20)
InChIKeyRKIQAYMAMBUTQA-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.09
Rot. Bonds4

About [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate

[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate (PubChem CID 175142659) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
PubChem CID175142659
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2cccc(OCC(F)(F)F)n2)C1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)8-21-11-5-1-4-10(18-11)19-6-2-3-9(7-19)22-12(17)20/h1,4-5,9H,2-3,6-8H2,(H2,17,20)
InChIKeyRKIQAYMAMBUTQA-UHFFFAOYSA-N
XLogP2.09
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)pyridine
CID 150915079
[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175147723
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
CID 175144991
[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
CID 155168175
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
methyl 1-(6-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113331246
methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
CID 166270436
[(3R)-1-[2-chloro-4-(trifluoromethoxy)phenyl]piperidin-3-yl] carbamate
CID 175147504
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate (CID 175142659) is [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate is NC(=O)OC1CCCN(c2cccc(OCC(F)(F)F)n2)C1.
What is the InChIKey of [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate?
The InChIKey is RKIQAYMAMBUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)8-21-11-5-1-4-10(18-11)19-6-2-3-9(7-19)22-12(17)20/h1,4-5,9H,2-3,6-8H2,(H2,17,20).
What are the key properties of [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate?
[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate has a molecular weight of 319.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175142659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).