3-(4-azidobutyl)piperidine

C9H18N4 — CID 151564933

IUPAC3-(4-azidobutyl)piperidine
SMILES[N-]=[N+]=NCCCCC1CCCNC1
InChIInChI=1S/C9H18N4/c10-13-12-7-2-1-4-9-5-3-6-11-8-9/h9,11H,1-8H2
InChIKeyQDFSNBXOQDZNNX-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.47
Rot. Bonds5

About 3-(4-azidobutyl)piperidine

3-(4-azidobutyl)piperidine (PubChem CID 151564933) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(4-azidobutyl)piperidine.

Molecular Properties

Compound Name3-(4-azidobutyl)piperidine
PubChem CID151564933
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-(4-azidobutyl)piperidine
SMILES[N-]=[N+]=NCCCCC1CCCNC1
InChIInChI=1S/C9H18N4/c10-13-12-7-2-1-4-9-5-3-6-11-8-9/h9,11H,1-8H2
InChIKeyQDFSNBXOQDZNNX-UHFFFAOYSA-N
XLogP2.47
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
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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Related Compounds

3-azidopropylcyclohexane
CID 66545466
(3S)-3-heptylpiperidine
CID 155456188
(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
CID 162435665
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
3-piperidin-3-ylpropane-1-sulfinate
CID 139343735
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
triethoxy(3-piperidin-3-ylpropyl)silane
CID 141175245
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
3-(3-methylbutyl)piperidine
CID 53409753
N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510

Frequently Asked Questions

What is the IUPAC name of 3-(4-azidobutyl)piperidine?
The IUPAC name of 3-(4-azidobutyl)piperidine (CID 151564933) is 3-(4-azidobutyl)piperidine.
What is the SMILES notation for 3-(4-azidobutyl)piperidine?
The canonical SMILES for 3-(4-azidobutyl)piperidine is [N-]=[N+]=NCCCCC1CCCNC1.
What is the InChIKey of 3-(4-azidobutyl)piperidine?
The InChIKey is QDFSNBXOQDZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c10-13-12-7-2-1-4-9-5-3-6-11-8-9/h9,11H,1-8H2.
What are the key properties of 3-(4-azidobutyl)piperidine?
3-(4-azidobutyl)piperidine has a molecular weight of 182.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azidobutyl)piperidine is sourced from PubChem (CID 151564933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).