1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine

C10H18N4 — CID 18547027

IUPAC1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine
SMILESC/C=C(\CN=[N+]=[N-])CN1CCCCC1
InChIInChI=1S/C10H18N4/c1-2-10(8-12-13-11)9-14-6-4-3-5-7-14/h2H,3-9H2,1H3/b10-2+
InChIKeyRRNNGEKQJNLTOM-WTDSWWLTSA-N
MW194.28 g/mol
LogP2.73
Rot. Bonds4

About 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine

1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine (PubChem CID 18547027) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine
PubChem CID18547027
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine
SMILESC/C=C(\CN=[N+]=[N-])CN1CCCCC1
InChIInChI=1S/C10H18N4/c1-2-10(8-12-13-11)9-14-6-4-3-5-7-14/h2H,3-9H2,1H3/b10-2+
InChIKeyRRNNGEKQJNLTOM-WTDSWWLTSA-N
XLogP2.73
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.73
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': 'isolated_alkene', '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-[(Z)-2-(azidomethyl)but-2-enyl]piperidine?
The IUPAC name of 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine (CID 18547027) is 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine is C/C=C(\CN=[N+]=[N-])CN1CCCCC1.
What is the InChIKey of 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine?
The InChIKey is RRNNGEKQJNLTOM-WTDSWWLTSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-10(8-12-13-11)9-14-6-4-3-5-7-14/h2H,3-9H2,1H3/b10-2+.
What are the key properties of 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine?
1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine is sourced from PubChem (CID 18547027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).