methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate

C16H21F3N2O2 — CID 133444594

IUPACmethyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,14(22)23-3)11-6-5-9-21(10-11)13-8-4-7-12(20-13)16(17,18)19/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyPXUDAZHMPYOXPU-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.52
Rot. Bonds3

About methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate

methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate (PubChem CID 133444594) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
PubChem CID133444594
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Namemethyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,14(22)23-3)11-6-5-9-21(10-11)13-8-4-7-12(20-13)16(17,18)19/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyPXUDAZHMPYOXPU-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
N-[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]adamantane-1-carboxamide
CID 147857261
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
2,2-dimethyl-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 90301811
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
methyl 2-methyl-2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]propanoate
CID 133444494

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate (CID 133444594) is methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate is COC(=O)C(C)(C)C1CCCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate?
The InChIKey is PXUDAZHMPYOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,14(22)23-3)11-6-5-9-21(10-11)13-8-4-7-12(20-13)16(17,18)19/h4,7-8,11H,5-6,9-10H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate?
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate has a molecular weight of 330.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate is sourced from PubChem (CID 133444594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).