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

C19H19F3N2O2 — CID 146167879

IUPACbenzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-7-17(23-12-16)15-8-10-24(11-9-15)18(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2
InChIKeyNTHOEVWXJRUAIC-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.62
Rot. Bonds3

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

benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 146167879) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate
PubChem CID146167879
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Namebenzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-7-17(23-12-16)15-8-10-24(11-9-15)18(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2
InChIKeyNTHOEVWXJRUAIC-UHFFFAOYSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester
CID 44403560
(S)-3-((S)-1-(4-(5-fluoropyridin-2-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 44625911
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58109251
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58109704
N-[(1-Cbz-4-piperidyl)methyl]pyridin-4-amine
CID 9797385
Benzyl 4-[(pyridin-3-ylamino)methyl]piperidine-1-carboxylate
CID 9858476
1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(2-pyridinyl)ethanone
CID 10840066
4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl)pyridin-2-yl)ethyl)pyridin-2(1H)-one
CID 45487384
Benzyl 4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 57574990
US9603833, Example 113
CID 58181315
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoropyridin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 134542328
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543346

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate (CID 146167879) is benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is NTHOEVWXJRUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-7-17(23-12-16)15-8-10-24(11-9-15)18(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2.
What are the key properties of benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate?
benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 364.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 146167879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).