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

C18H17F3N2O2 — CID 2822230

IUPACphenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(22-12-14)23-10-8-13(9-11-23)17(24)25-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyKPRNTLZWEAQATQ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.92
Rot. Bonds3

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

phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 2822230) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namephenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID2822230
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Namephenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(22-12-14)23-10-8-13(9-11-23)17(24)25-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyKPRNTLZWEAQATQ-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 45352800
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9119461
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43040213
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383

Frequently Asked Questions

What is the IUPAC name of phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 2822230) is phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is O=C(Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is KPRNTLZWEAQATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(22-12-14)23-10-8-13(9-11-23)17(24)25-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2.
What are the key properties of phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 350.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 2822230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).