3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine

C18H30F6N2O3 — CID 142768125

IUPAC3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine
SMILESCOC1CCCN(CC(OC(CN2CCCC(OC)C2)C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C18H30F6N2O3/c1-27-13-5-3-7-25(9-13)11-15(17(19,20)21)29-16(18(22,23)24)12-26-8-4-6-14(10-26)28-2/h13-16H,3-12H2,1-2H3
InChIKeyHWKKQODFRHCEGB-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.09
Rot. Bonds8

About 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine

3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine (PubChem CID 142768125) has the molecular formula C18H30F6N2O3 and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine.

Molecular Properties

Compound Name3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine
PubChem CID142768125
Molecular FormulaC18H30F6N2O3
Molecular Weight436.44 g/mol
Exact Mass436.22
IUPAC Name3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine
SMILESCOC1CCCN(CC(OC(CN2CCCC(OC)C2)C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C18H30F6N2O3/c1-27-13-5-3-7-25(9-13)11-15(17(19,20)21)29-16(18(22,23)24)12-26-8-4-6-14(10-26)28-2/h13-16H,3-12H2,1-2H3
InChIKeyHWKKQODFRHCEGB-UHFFFAOYSA-N
XLogP3.09
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine?
The IUPAC name of 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine (CID 142768125) is 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine.
What is the SMILES notation for 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine?
The canonical SMILES for 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine is COC1CCCN(CC(OC(CN2CCCC(OC)C2)C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine?
The InChIKey is HWKKQODFRHCEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F6N2O3/c1-27-13-5-3-7-25(9-13)11-15(17(19,20)21)29-16(18(22,23)24)12-26-8-4-6-14(10-26)28-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine?
3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine has a molecular weight of 436.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-(3-methoxypiperidin-1-yl)propan-2-yl]oxypropyl]piperidine is sourced from PubChem (CID 142768125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).