ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate

C15H19F3N2O2 — CID 118100574

IUPACethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H19F3N2O2/c1-2-22-14(21)8-11-4-3-7-20(10-11)13-6-5-12(9-19-13)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyKDMQNCRQFNPXMZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.27
Rot. Bonds4

About ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate

ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate (PubChem CID 118100574) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate
PubChem CID118100574
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Nameethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H19F3N2O2/c1-2-22-14(21)8-11-4-3-7-20(10-11)13-6-5-12(9-19-13)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyKDMQNCRQFNPXMZ-UHFFFAOYSA-N
XLogP3.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate (CID 118100574) is ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate is CCOC(=O)CC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate?
The InChIKey is KDMQNCRQFNPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-22-14(21)8-11-4-3-7-20(10-11)13-6-5-12(9-19-13)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate?
ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate has a molecular weight of 316.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetate is sourced from PubChem (CID 118100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).