(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol

C17H20FN3O — CID 97281064

IUPAC(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2F)C1
InChIInChI=1S/C17H20FN3O/c18-16-7-4-8-19-17(16)21-10-9-20(12-15(22)13-21)11-14-5-2-1-3-6-14/h1-8,15,22H,9-13H2/t15-/m1/s1
InChIKeyYLDRQIDEAGXDAU-OAHLLOKOSA-N
MW301.37 g/mol
LogP1.90
Rot. Bonds3

About (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol

(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol (PubChem CID 97281064) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
PubChem CID97281064
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2F)C1
InChIInChI=1S/C17H20FN3O/c18-16-7-4-8-19-17(16)21-10-9-20(12-15(22)13-21)11-14-5-2-1-3-6-14/h1-8,15,22H,9-13H2/t15-/m1/s1
InChIKeyYLDRQIDEAGXDAU-OAHLLOKOSA-N
XLogP1.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-4-pyrimidin-2-yl-1,4-diazepan-6-ol
CID 72907511
1-benzyl-4-(4-methyl-2-pyridinyl)-1,4-diazepan-6-ol
CID 72919693
(6R)-1-benzyl-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-6-ol
CID 99974314
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 67154993
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
(6R)-1-[(2-amino-3-pyridinyl)methyl]-4-isoquinolin-1-yl-1,4-diazepan-6-ol
CID 100600637
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
CID 142827398

Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol?
The IUPAC name of (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol (CID 97281064) is (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol.
What is the SMILES notation for (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol?
The canonical SMILES for (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol is O[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2F)C1.
What is the InChIKey of (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol?
The InChIKey is YLDRQIDEAGXDAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-16-7-4-8-19-17(16)21-10-9-20(12-15(22)13-21)11-14-5-2-1-3-6-14/h1-8,15,22H,9-13H2/t15-/m1/s1.
What are the key properties of (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol?
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol has a molecular weight of 301.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol is sourced from PubChem (CID 97281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).