[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid

C12H14F3N3O2 — CID 67341843

IUPAC[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-9(1-4-16-10)18-5-2-8(3-6-18)17-11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,19,20)
InChIKeyHOUJICXBZFHAMT-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.34
Rot. Bonds2

About [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid

[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 67341843) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID67341843
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-9(1-4-16-10)18-5-2-8(3-6-18)17-11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,19,20)
InChIKeyHOUJICXBZFHAMT-UHFFFAOYSA-N
XLogP2.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135335154
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051698
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid (CID 67341843) is [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is HOUJICXBZFHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-9(1-4-16-10)18-5-2-8(3-6-18)17-11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,19,20).
What are the key properties of [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid?
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 289.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67341843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).