[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate

C19H23F6NO3 — CID 58633917

IUPAC[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate
SMILESCC(=O)OC1CC[C@](C)(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC1
InChIInChI=1S/C19H23F6NO3/c1-11(28-10-17(3)5-4-16(9-26-17)29-12(2)27)13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8,11,16,26H,4-5,9-10H2,1-3H3/t11-,16?,17-/m1/s1
InChIKeyGWRYPFMCDRFEJV-NUPKVRKVSA-N
MW427.39 g/mol
LogP4.88
Rot. Bonds5

About [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate

[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate (PubChem CID 58633917) has the molecular formula C19H23F6NO3 and a molecular weight of 427.39 g/mol. Its IUPAC name is [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate
PubChem CID58633917
Molecular FormulaC19H23F6NO3
Molecular Weight427.39 g/mol
Exact Mass427.16
IUPAC Name[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate
SMILESCC(=O)OC1CC[C@](C)(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC1
InChIInChI=1S/C19H23F6NO3/c1-11(28-10-17(3)5-4-16(9-26-17)29-12(2)27)13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8,11,16,26H,4-5,9-10H2,1-3H3/t11-,16?,17-/m1/s1
InChIKeyGWRYPFMCDRFEJV-NUPKVRKVSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]-2-chloroacetamide
CID 23574934
N-[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]cyclopropanecarboxamide
CID 58633833
1-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]-3-(chloromethyl)urea
CID 59088548
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3,6-dimethylpiperidin-3-ol
CID 23574831
(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(carbamoylamino)-6-methylpiperidine-3-carboxamide
CID 58633900
(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride
CID 159543371
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-(2,2-dimethylpropanoylamino)-6-methylpiperidine-3-carboxamide
CID 23574828
[8-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-8-methyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl]phosphonic acid
CID 23574880
(5R,8R)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-methyl-3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 58633748
2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 23574765
N-[(3R,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-3-yl]acetamide
CID 58633867
2-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-methylacetamide
CID 58238928

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate?
The IUPAC name of [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate (CID 58633917) is [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate.
What is the SMILES notation for [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate?
The canonical SMILES for [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate is CC(=O)OC1CC[C@](C)(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC1.
What is the InChIKey of [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate?
The InChIKey is GWRYPFMCDRFEJV-NUPKVRKVSA-N. The full InChI is InChI=1S/C19H23F6NO3/c1-11(28-10-17(3)5-4-16(9-26-17)29-12(2)27)13-6-14(18(20,21)22)8-15(7-13)19(23,24)25/h6-8,11,16,26H,4-5,9-10H2,1-3H3/t11-,16?,17-/m1/s1.
What are the key properties of [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate?
[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate has a molecular weight of 427.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl] acetate is sourced from PubChem (CID 58633917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).