(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol

C15H20FN5O — CID 166525621

IUPAC(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol
SMILESCN[C@H]1CN(C)C[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@@H]1O
InChIInChI=1S/C15H20FN5O/c1-17-13-7-20(2)9-14(15(13)22)21-8-12(18-19-21)10-4-3-5-11(16)6-10/h3-6,8,13-15,17,22H,7,9H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyXELGSHDBPJFZGB-RRFJBIMHSA-N
MW305.36 g/mol
LogP0.52
Rot. Bonds3

About (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol

(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol (PubChem CID 166525621) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol
PubChem CID166525621
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol
SMILESCN[C@H]1CN(C)C[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@@H]1O
InChIInChI=1S/C15H20FN5O/c1-17-13-7-20(2)9-14(15(13)22)21-8-12(18-19-21)10-4-3-5-11(16)6-10/h3-6,8,13-15,17,22H,7,9H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyXELGSHDBPJFZGB-RRFJBIMHSA-N
XLogP0.52
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol 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 (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol?
The IUPAC name of (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol (CID 166525621) is (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol.
What is the SMILES notation for (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol?
The canonical SMILES for (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol is CN[C@H]1CN(C)C[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol?
The InChIKey is XELGSHDBPJFZGB-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-17-13-7-20(2)9-14(15(13)22)21-8-12(18-19-21)10-4-3-5-11(16)6-10/h3-6,8,13-15,17,22H,7,9H2,1-2H3/t13-,14+,15+/m0/s1.
What are the key properties of (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol?
(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol has a molecular weight of 305.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol is sourced from PubChem (CID 166525621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).