ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate

C17H24F3NO2 — CID 143569533

IUPACethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
SMILESCC.COC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO2.C2H6/c1-21-14(20)9-10-6-7-19-13(8-10)11-2-4-12(5-3-11)15(16,17)18;1-2/h2-5,10,13,19H,6-9H2,1H3;1-2H3
InChIKeyAEVACIXWOXLAMV-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.34
Rot. Bonds3

About ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate

ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate (PubChem CID 143569533) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
PubChem CID143569533
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Nameethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
SMILESCC.COC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO2.C2H6/c1-21-14(20)9-10-6-7-19-13(8-10)11-2-4-12(5-3-11)15(16,17)18;1-2/h2-5,10,13,19H,6-9H2,1H3;1-2H3
InChIKeyAEVACIXWOXLAMV-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetate
CID 59201208
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024
methyl 4-[(2R,4R)-4-ethylpiperidin-2-yl]benzoate
CID 125468766
methyl 2-[1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 143640006
2-methylbutane;methyl 2-[2-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetate
CID 143215711
methyl 2-[(2S,4R)-1-[(2R)-1-hydroxy-5-methylhexan-2-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 91178028
methyl 6-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 117168204
methyl 2-[(3S)-1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetate
CID 162552661
methyl 2-[(2S,4S)-2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidin-4-yl]acetate
CID 178162750
methyl 2-[(3S,5S)-1-[(4-chlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetate
CID 163370884
2-methylbutane;methyl 2-[1-[2-(difluoromethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 143569538
methyl 2-[(2S,4R)-1-[(5S)-2,2,8,8-tetramethylnon-3-yn-5-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 59201204

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The IUPAC name of ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate (CID 143569533) is ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The canonical SMILES for ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate is CC.COC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The InChIKey is AEVACIXWOXLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2.C2H6/c1-21-14(20)9-10-6-7-19-13(8-10)11-2-4-12(5-3-11)15(16,17)18;1-2/h2-5,10,13,19H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate has a molecular weight of 331.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate is sourced from PubChem (CID 143569533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).