1-(3-azidopropyl)-3,5-dimethylpiperidine

C10H20N4 — CID 61396749

IUPAC1-(3-azidopropyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C10H20N4/c1-9-6-10(2)8-14(7-9)5-3-4-12-13-11/h9-10H,3-8H2,1-2H3
InChIKeySOZGECUIMVNKAA-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-azidopropyl)-3,5-dimethylpiperidine

1-(3-azidopropyl)-3,5-dimethylpiperidine (PubChem CID 61396749) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(3-azidopropyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-azidopropyl)-3,5-dimethylpiperidine
PubChem CID61396749
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(3-azidopropyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C10H20N4/c1-9-6-10(2)8-14(7-9)5-3-4-12-13-11/h9-10H,3-8H2,1-2H3
InChIKeySOZGECUIMVNKAA-UHFFFAOYSA-N
XLogP2.66
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 1-(3-azidopropyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(3-azidopropyl)-3,5-dimethylpiperidine (CID 61396749) is 1-(3-azidopropyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(3-azidopropyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(3-azidopropyl)-3,5-dimethylpiperidine is CC1CC(C)CN(CCCN=[N+]=[N-])C1.
What is the InChIKey of 1-(3-azidopropyl)-3,5-dimethylpiperidine?
The InChIKey is SOZGECUIMVNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9-6-10(2)8-14(7-9)5-3-4-12-13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-azidopropyl)-3,5-dimethylpiperidine?
1-(3-azidopropyl)-3,5-dimethylpiperidine has a molecular weight of 196.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 61396749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).