(3S,5R)-3-azido-5-methoxy-1-methylpiperidine

C7H14N4O — CID 89090851

IUPAC(3S,5R)-3-azido-5-methoxy-1-methylpiperidine
SMILESCO[C@@H]1C[C@H](N=[N+]=[N-])CN(C)C1
InChIInChI=1S/C7H14N4O/c1-11-4-6(9-10-8)3-7(5-11)12-2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyUSWHZKSRDPNMOC-NKWVEPMBSA-N
MW170.22 g/mol
LogP1.02
Rot. Bonds2

About (3S,5R)-3-azido-5-methoxy-1-methylpiperidine

(3S,5R)-3-azido-5-methoxy-1-methylpiperidine (PubChem CID 89090851) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (3S,5R)-3-azido-5-methoxy-1-methylpiperidine.

Molecular Properties

Compound Name(3S,5R)-3-azido-5-methoxy-1-methylpiperidine
PubChem CID89090851
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(3S,5R)-3-azido-5-methoxy-1-methylpiperidine
SMILESCO[C@@H]1C[C@H](N=[N+]=[N-])CN(C)C1
InChIInChI=1S/C7H14N4O/c1-11-4-6(9-10-8)3-7(5-11)12-2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyUSWHZKSRDPNMOC-NKWVEPMBSA-N
XLogP1.02
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-azido-5-methoxy-1-methylpiperidine?
The IUPAC name of (3S,5R)-3-azido-5-methoxy-1-methylpiperidine (CID 89090851) is (3S,5R)-3-azido-5-methoxy-1-methylpiperidine.
What is the SMILES notation for (3S,5R)-3-azido-5-methoxy-1-methylpiperidine?
The canonical SMILES for (3S,5R)-3-azido-5-methoxy-1-methylpiperidine is CO[C@@H]1C[C@H](N=[N+]=[N-])CN(C)C1.
What is the InChIKey of (3S,5R)-3-azido-5-methoxy-1-methylpiperidine?
The InChIKey is USWHZKSRDPNMOC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N4O/c1-11-4-6(9-10-8)3-7(5-11)12-2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,5R)-3-azido-5-methoxy-1-methylpiperidine?
(3S,5R)-3-azido-5-methoxy-1-methylpiperidine has a molecular weight of 170.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-azido-5-methoxy-1-methylpiperidine is sourced from PubChem (CID 89090851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).