4-azido-1-butylpiperidin-3-ol

C9H18N4O — CID 123520759

IUPAC4-azido-1-butylpiperidin-3-ol
SMILESCCCCN1CCC(N=[N+]=[N-])C(O)C1
InChIInChI=1S/C9H18N4O/c1-2-3-5-13-6-4-8(11-12-10)9(14)7-13/h8-9,14H,2-7H2,1H3
InChIKeyGMINARPMIYVQGE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.53
Rot. Bonds4

About 4-azido-1-butylpiperidin-3-ol

4-azido-1-butylpiperidin-3-ol (PubChem CID 123520759) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-azido-1-butylpiperidin-3-ol.

Molecular Properties

Compound Name4-azido-1-butylpiperidin-3-ol
PubChem CID123520759
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name4-azido-1-butylpiperidin-3-ol
SMILESCCCCN1CCC(N=[N+]=[N-])C(O)C1
InChIInChI=1S/C9H18N4O/c1-2-3-5-13-6-4-8(11-12-10)9(14)7-13/h8-9,14H,2-7H2,1H3
InChIKeyGMINARPMIYVQGE-UHFFFAOYSA-N
XLogP1.53
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
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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Related Compounds

(3R,4R)-4-azido-1-propylpiperidin-3-ol
CID 149434789
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate
CID 174536746
4-azido-1-benzylpiperidin-3-ol
CID 76766265
1-pentylpiperidine-3,4-diol
CID 69410100
3-bromo-1-butylpyrrolidine
CID 80676410
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
CID 112628115
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-butylpiperidin-3-ol?
The IUPAC name of 4-azido-1-butylpiperidin-3-ol (CID 123520759) is 4-azido-1-butylpiperidin-3-ol.
What is the SMILES notation for 4-azido-1-butylpiperidin-3-ol?
The canonical SMILES for 4-azido-1-butylpiperidin-3-ol is CCCCN1CCC(N=[N+]=[N-])C(O)C1.
What is the InChIKey of 4-azido-1-butylpiperidin-3-ol?
The InChIKey is GMINARPMIYVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-3-5-13-6-4-8(11-12-10)9(14)7-13/h8-9,14H,2-7H2,1H3.
What are the key properties of 4-azido-1-butylpiperidin-3-ol?
4-azido-1-butylpiperidin-3-ol has a molecular weight of 198.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-butylpiperidin-3-ol is sourced from PubChem (CID 123520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).