1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol

C11H20N4O — CID 121203020

IUPAC1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILES[N-]=[N+]=NCCN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H20N4O/c12-14-13-4-6-15-5-3-11(16)10(8-15)7-9-1-2-9/h9-11,16H,1-8H2
InChIKeyWCXFHVGHUYOPOK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol

1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 121203020) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID121203020
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILES[N-]=[N+]=NCCN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H20N4O/c12-14-13-4-6-15-5-3-11(16)10(8-15)7-9-1-2-9/h9-11,16H,1-8H2
InChIKeyWCXFHVGHUYOPOK-UHFFFAOYSA-N
XLogP1.78
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol (CID 121203020) is 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol is [N-]=[N+]=NCCN1CCC(O)C(CC2CC2)C1.
What is the InChIKey of 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is WCXFHVGHUYOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-14-13-4-6-15-5-3-11(16)10(8-15)7-9-1-2-9/h9-11,16H,1-8H2.
What are the key properties of 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol has a molecular weight of 224.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 121203020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).