1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine

C10H20N4O — CID 121203109

IUPAC1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H20N4O/c1-10(9-15-2)3-6-14(7-4-10)8-5-12-13-11/h3-9H2,1-2H3
InChIKeyPFLPJVMIDQOHSV-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine

1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine (PubChem CID 121203109) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
PubChem CID121203109
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H20N4O/c1-10(9-15-2)3-6-14(7-4-10)8-5-12-13-11/h3-9H2,1-2H3
InChIKeyPFLPJVMIDQOHSV-UHFFFAOYSA-N
XLogP2.05
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.05
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 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine?
The IUPAC name of 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine (CID 121203109) is 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine?
The canonical SMILES for 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine is COCC1(C)CCN(CCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine?
The InChIKey is PFLPJVMIDQOHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(9-15-2)3-6-14(7-4-10)8-5-12-13-11/h3-9H2,1-2H3.
What are the key properties of 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine?
1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine has a molecular weight of 212.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine is sourced from PubChem (CID 121203109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).