1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine

C20H26F3N5O — CID 166100811

IUPAC1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine
SMILESCN1CCC(c2cn([C@@H]3CNC[C@H]3OCc3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C20H26F3N5O/c1-27-8-6-15(7-9-27)17-12-28(26-25-17)18-10-24-11-19(18)29-13-14-2-4-16(5-3-14)20(21,22)23/h2-5,12,15,18-19,24H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeyLBOZYCBZCPFRCR-RTBURBONSA-N
MW409.46 g/mol
LogP2.84
Rot. Bonds5

About 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine

1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine (PubChem CID 166100811) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine
PubChem CID166100811
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine
SMILESCN1CCC(c2cn([C@@H]3CNC[C@H]3OCc3ccc(C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C20H26F3N5O/c1-27-8-6-15(7-9-27)17-12-28(26-25-17)18-10-24-11-19(18)29-13-14-2-4-16(5-3-14)20(21,22)23/h2-5,12,15,18-19,24H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeyLBOZYCBZCPFRCR-RTBURBONSA-N
XLogP2.84
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine (CID 166100811) is 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine is CN1CCC(c2cn([C@@H]3CNC[C@H]3OCc3ccc(C(F)(F)F)cc3)nn2)CC1.
What is the InChIKey of 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine?
The InChIKey is LBOZYCBZCPFRCR-RTBURBONSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-27-8-6-15(7-9-27)17-12-28(26-25-17)18-10-24-11-19(18)29-13-14-2-4-16(5-3-14)20(21,22)23/h2-5,12,15,18-19,24H,6-11,13H2,1H3/t18-,19-/m1/s1.
What are the key properties of 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine?
1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine has a molecular weight of 409.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]piperidine is sourced from PubChem (CID 166100811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).