[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate

C12H13F4N3O2 — CID 175142260

IUPAC[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2ncc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C12H13F4N3O2/c13-9-4-7(12(14,15)16)5-18-10(9)19-3-1-2-8(6-19)21-11(17)20/h4-5,8H,1-3,6H2,(H2,17,20)
InChIKeyDQWHKEYORMZPTK-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.30
Rot. Bonds2

About [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate

[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate (PubChem CID 175142260) has the molecular formula C12H13F4N3O2 and a molecular weight of 307.25 g/mol. Its IUPAC name is [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
PubChem CID175142260
Molecular FormulaC12H13F4N3O2
Molecular Weight307.25 g/mol
Exact Mass307.09
IUPAC Name[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
SMILESNC(=O)OC1CCCN(c2ncc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C12H13F4N3O2/c13-9-4-7(12(14,15)16)5-18-10(9)19-3-1-2-8(6-19)21-11(17)20/h4-5,8H,1-3,6H2,(H2,17,20)
InChIKeyDQWHKEYORMZPTK-UHFFFAOYSA-N
XLogP2.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142659
[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-3-yl] carbamate
CID 175596359
[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
CID 146303389
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] N-(4-chlorophenyl)carbamate
CID 110208789
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] 4-methoxybenzoate
CID 110208786
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165431893
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate (CID 175142260) is [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate is NC(=O)OC1CCCN(c2ncc(C(F)(F)F)cc2F)C1.
What is the InChIKey of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate?
The InChIKey is DQWHKEYORMZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O2/c13-9-4-7(12(14,15)16)5-18-10(9)19-3-1-2-8(6-19)21-11(17)20/h4-5,8H,1-3,6H2,(H2,17,20).
What are the key properties of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate?
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate has a molecular weight of 307.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175142260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).