[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate

C15H17F3N2O4 — CID 66880720

IUPAC[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCc1ccnc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H17F3N2O4/c1-10-2-5-19-12(8-10)20-6-3-11(4-7-20)24-13(21)9-23-14(22)15(16,17)18/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeyCWFKGRUOJJGWBL-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.01
Rot. Bonds4

About [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 66880720) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID66880720
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCc1ccnc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H17F3N2O4/c1-10-2-5-19-12(8-10)20-6-3-11(4-7-20)24-13(21)9-23-14(22)15(16,17)18/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeyCWFKGRUOJJGWBL-UHFFFAOYSA-N
XLogP2.01
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

acetic acid;[1-(4-methyl-2-pyridinyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66880717
[2-[1-(2-fluoro-4-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
CID 66880905
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
N-methylmethanimine;1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 143465241
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
CID 171993927
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate (CID 66880720) is [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate is Cc1ccnc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is CWFKGRUOJJGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-10-2-5-19-12(8-10)20-6-3-11(4-7-20)24-13(21)9-23-14(22)15(16,17)18/h2,5,8,11H,3-4,6-7,9H2,1H3.
What are the key properties of [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 346.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 66880720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).