4-azido-1-methyl-2-prop-1-ynylpiperidine

C9H14N4 — CID 155679057

IUPAC4-azido-1-methyl-2-prop-1-ynylpiperidine
SMILESCC#CC1CC(N=[N+]=[N-])CCN1C
InChIInChI=1S/C9H14N4/c1-3-4-9-7-8(11-12-10)5-6-13(9)2/h8-9H,5-7H2,1-2H3
InChIKeyIWJKWENKJWKHJJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.78
Rot. Bonds1

About 4-azido-1-methyl-2-prop-1-ynylpiperidine

4-azido-1-methyl-2-prop-1-ynylpiperidine (PubChem CID 155679057) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-azido-1-methyl-2-prop-1-ynylpiperidine.

Molecular Properties

Compound Name4-azido-1-methyl-2-prop-1-ynylpiperidine
PubChem CID155679057
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-azido-1-methyl-2-prop-1-ynylpiperidine
SMILESCC#CC1CC(N=[N+]=[N-])CCN1C
InChIInChI=1S/C9H14N4/c1-3-4-9-7-8(11-12-10)5-6-13(9)2/h8-9H,5-7H2,1-2H3
InChIKeyIWJKWENKJWKHJJ-UHFFFAOYSA-N
XLogP1.78
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-1-methyl-2-prop-1-ynylpiperidine?
The IUPAC name of 4-azido-1-methyl-2-prop-1-ynylpiperidine (CID 155679057) is 4-azido-1-methyl-2-prop-1-ynylpiperidine.
What is the SMILES notation for 4-azido-1-methyl-2-prop-1-ynylpiperidine?
The canonical SMILES for 4-azido-1-methyl-2-prop-1-ynylpiperidine is CC#CC1CC(N=[N+]=[N-])CCN1C.
What is the InChIKey of 4-azido-1-methyl-2-prop-1-ynylpiperidine?
The InChIKey is IWJKWENKJWKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-4-9-7-8(11-12-10)5-6-13(9)2/h8-9H,5-7H2,1-2H3.
What are the key properties of 4-azido-1-methyl-2-prop-1-ynylpiperidine?
4-azido-1-methyl-2-prop-1-ynylpiperidine has a molecular weight of 178.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-methyl-2-prop-1-ynylpiperidine is sourced from PubChem (CID 155679057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).