(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine

C13H23F3N2O3 — CID 139517668

IUPAC(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine
SMILESCO[C@@H]1CN(CCOC2CC(OC(F)(F)F)C2)CC[C@H]1N
InChIInChI=1S/C13H23F3N2O3/c1-19-12-8-18(3-2-11(12)17)4-5-20-9-6-10(7-9)21-13(14,15)16/h9-12H,2-8,17H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyJIWHIRIDTFPYIV-KIDURHIOSA-N
MW312.33 g/mol
LogP1.12
Rot. Bonds6

About (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine

(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine (PubChem CID 139517668) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine
PubChem CID139517668
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine
SMILESCO[C@@H]1CN(CCOC2CC(OC(F)(F)F)C2)CC[C@H]1N
InChIInChI=1S/C13H23F3N2O3/c1-19-12-8-18(3-2-11(12)17)4-5-20-9-6-10(7-9)21-13(14,15)16/h9-12H,2-8,17H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyJIWHIRIDTFPYIV-KIDURHIOSA-N
XLogP1.12
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine?
The IUPAC name of (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine (CID 139517668) is (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine?
The canonical SMILES for (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine is CO[C@@H]1CN(CCOC2CC(OC(F)(F)F)C2)CC[C@H]1N.
What is the InChIKey of (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine?
The InChIKey is JIWHIRIDTFPYIV-KIDURHIOSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-19-12-8-18(3-2-11(12)17)4-5-20-9-6-10(7-9)21-13(14,15)16/h9-12H,2-8,17H2,1H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine?
(3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine has a molecular weight of 312.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]piperidin-4-amine is sourced from PubChem (CID 139517668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).