1-(3-azidopropyl)-4-tert-butylpiperazine

C11H23N5 — CID 61430331

IUPAC1-(3-azidopropyl)-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(CCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H23N5/c1-11(2,3)16-9-7-15(8-10-16)6-4-5-13-14-12/h4-10H2,1-3H3
InChIKeyDHCWRYLONCOXCX-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-azidopropyl)-4-tert-butylpiperazine

1-(3-azidopropyl)-4-tert-butylpiperazine (PubChem CID 61430331) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-azidopropyl)-4-tert-butylpiperazine.

Molecular Properties

Compound Name1-(3-azidopropyl)-4-tert-butylpiperazine
PubChem CID61430331
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1-(3-azidopropyl)-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(CCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H23N5/c1-11(2,3)16-9-7-15(8-10-16)6-4-5-13-14-12/h4-10H2,1-3H3
InChIKeyDHCWRYLONCOXCX-UHFFFAOYSA-N
XLogP2.10
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-tert-butylpiperazine?
The IUPAC name of 1-(3-azidopropyl)-4-tert-butylpiperazine (CID 61430331) is 1-(3-azidopropyl)-4-tert-butylpiperazine.
What is the SMILES notation for 1-(3-azidopropyl)-4-tert-butylpiperazine?
The canonical SMILES for 1-(3-azidopropyl)-4-tert-butylpiperazine is CC(C)(C)N1CCN(CCCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(3-azidopropyl)-4-tert-butylpiperazine?
The InChIKey is DHCWRYLONCOXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-11(2,3)16-9-7-15(8-10-16)6-4-5-13-14-12/h4-10H2,1-3H3.
What are the key properties of 1-(3-azidopropyl)-4-tert-butylpiperazine?
1-(3-azidopropyl)-4-tert-butylpiperazine has a molecular weight of 225.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-4-tert-butylpiperazine is sourced from PubChem (CID 61430331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).