[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate

C16H21F3N2O2 — CID 174667909

IUPAC[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)23-21-9-6-11(7-10-21)13-12(16(17,18)19)5-4-8-20-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyRGQCWXFKBCCHRF-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.78
Rot. Bonds2

About [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174667909) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174667909
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)23-21-9-6-11(7-10-21)13-12(16(17,18)19)5-4-8-20-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyRGQCWXFKBCCHRF-UHFFFAOYSA-N
XLogP3.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174667909) is [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is RGQCWXFKBCCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)14(22)23-21-9-6-11(7-10-21)13-12(16(17,18)19)5-4-8-20-13/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 330.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174667909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).