2-azido-1-piperidin-4-ylethanol

C7H14N4O — CID 126971370

IUPAC2-azido-1-piperidin-4-ylethanol
SMILES[N-]=[N+]=NCC(O)C1CCNCC1
InChIInChI=1S/C7H14N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2
InChIKeyUCVHGFFIHRMOPD-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.66
Rot. Bonds3

About 2-azido-1-piperidin-4-ylethanol

2-azido-1-piperidin-4-ylethanol (PubChem CID 126971370) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-azido-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-azido-1-piperidin-4-ylethanol
PubChem CID126971370
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-azido-1-piperidin-4-ylethanol
SMILES[N-]=[N+]=NCC(O)C1CCNCC1
InChIInChI=1S/C7H14N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2
InChIKeyUCVHGFFIHRMOPD-UHFFFAOYSA-N
XLogP0.66
TPSA81.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
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

(1R)-2-azido-1-cyclopentylethanol
CID 83093623
4-(1,3-diazidopropan-2-yl)azepane
CID 20528693
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
2-piperidin-4-ylpropane-1,3-diol
CID 67197232
1-piperidin-4-ylpentan-1-ol
CID 19599407
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
1-piperidin-4-ylundecan-1-ol
CID 80560155
(3S)-3-(azidomethyl)pyrrolidine;hydrochloride
CID 162435665
(2S)-2-amino-2-piperidin-4-ylethanol
CID 55283997
aziridine azide
CID 161154426
5-azidopentane-1,2,4-triol
CID 90777098

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-piperidin-4-ylethanol?
The IUPAC name of 2-azido-1-piperidin-4-ylethanol (CID 126971370) is 2-azido-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-azido-1-piperidin-4-ylethanol?
The canonical SMILES for 2-azido-1-piperidin-4-ylethanol is [N-]=[N+]=NCC(O)C1CCNCC1.
What is the InChIKey of 2-azido-1-piperidin-4-ylethanol?
The InChIKey is UCVHGFFIHRMOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2.
What are the key properties of 2-azido-1-piperidin-4-ylethanol?
2-azido-1-piperidin-4-ylethanol has a molecular weight of 170.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-piperidin-4-ylethanol is sourced from PubChem (CID 126971370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).