(3R,4R)-3-azido-1-methylpiperidin-4-ol

C6H12N4O — CID 58177365

IUPAC(3R,4R)-3-azido-1-methylpiperidin-4-ol
SMILESCN1CC[C@@H](O)[C@H](N=[N+]=[N-])C1
InChIInChI=1S/C6H12N4O/c1-10-3-2-6(11)5(4-10)8-9-7/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySPWSJTFNNBQSNZ-PHDIDXHHSA-N
MW156.19 g/mol
LogP0.36
Rot. Bonds1

About (3R,4R)-3-azido-1-methylpiperidin-4-ol

(3R,4R)-3-azido-1-methylpiperidin-4-ol (PubChem CID 58177365) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (3R,4R)-3-azido-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-azido-1-methylpiperidin-4-ol
PubChem CID58177365
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(3R,4R)-3-azido-1-methylpiperidin-4-ol
SMILESCN1CC[C@@H](O)[C@H](N=[N+]=[N-])C1
InChIInChI=1S/C6H12N4O/c1-10-3-2-6(11)5(4-10)8-9-7/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySPWSJTFNNBQSNZ-PHDIDXHHSA-N
XLogP0.36
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4R)-3-azido-1-methylpiperidin-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)-3-azido-1-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-3-azido-1-methylpiperidin-4-ol (CID 58177365) is (3R,4R)-3-azido-1-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-azido-1-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-3-azido-1-methylpiperidin-4-ol is CN1CC[C@@H](O)[C@H](N=[N+]=[N-])C1.
What is the InChIKey of (3R,4R)-3-azido-1-methylpiperidin-4-ol?
The InChIKey is SPWSJTFNNBQSNZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10-3-2-6(11)5(4-10)8-9-7/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-3-azido-1-methylpiperidin-4-ol?
(3R,4R)-3-azido-1-methylpiperidin-4-ol has a molecular weight of 156.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-azido-1-methylpiperidin-4-ol is sourced from PubChem (CID 58177365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).