2-[1-(2-azidoethyl)piperidin-4-yl]ethanol

C9H18N4O — CID 121201308

IUPAC2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
SMILES[N-]=[N+]=NCCN1CCC(CCO)CC1
InChIInChI=1S/C9H18N4O/c10-12-11-4-7-13-5-1-9(2-6-13)3-8-14/h9,14H,1-8H2
InChIKeyDBIQHHZZSGHWFH-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol

2-[1-(2-azidoethyl)piperidin-4-yl]ethanol (PubChem CID 121201308) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
PubChem CID121201308
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
SMILES[N-]=[N+]=NCCN1CCC(CCO)CC1
InChIInChI=1S/C9H18N4O/c10-12-11-4-7-13-5-1-9(2-6-13)3-8-14/h9,14H,1-8H2
InChIKeyDBIQHHZZSGHWFH-UHFFFAOYSA-N
XLogP1.39
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.39
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

2-[1-(2-azidoethyl)piperidin-4-yl]ethanamine
CID 177052593
1-(2-azidoethyl)-4-methylpiperidine
CID 61396689
2-[4-(2-azidoethyl)-1,4-diazepan-1-yl]ethanol
CID 107225557
(3S)-1-(2-azidoethyl)-3-(fluoromethyl)pyrrolidine
CID 129495684
1-(2-azidoethyl)azocane
CID 61396856
2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
CID 167423309
2-[4-(3-azidopropyl)piperazin-1-yl]ethanol
CID 55139368
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-azidoethylcyclobutane
CID 130913828
1-(2-azidoethyl)-4-ethylpiperazine
CID 61396790
N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine
CID 168826163
3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 165355086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol (CID 121201308) is 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol is [N-]=[N+]=NCCN1CCC(CCO)CC1.
What is the InChIKey of 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol?
The InChIKey is DBIQHHZZSGHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-12-11-4-7-13-5-1-9(2-6-13)3-8-14/h9,14H,1-8H2.
What are the key properties of 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol?
2-[1-(2-azidoethyl)piperidin-4-yl]ethanol has a molecular weight of 198.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azidoethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 121201308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).