(3R,4R)-4-azido-1-propylpiperidin-3-ol

C8H16N4O — CID 149434789

IUPAC(3R,4R)-4-azido-1-propylpiperidin-3-ol
SMILESCCCN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1
InChIInChI=1S/C8H16N4O/c1-2-4-12-5-3-7(10-11-9)8(13)6-12/h7-8,13H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyFQWFUBSCVSNHHN-HTQZYQBOSA-N
MW184.24 g/mol
LogP1.14
Rot. Bonds3

About (3R,4R)-4-azido-1-propylpiperidin-3-ol

(3R,4R)-4-azido-1-propylpiperidin-3-ol (PubChem CID 149434789) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (3R,4R)-4-azido-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-azido-1-propylpiperidin-3-ol
PubChem CID149434789
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(3R,4R)-4-azido-1-propylpiperidin-3-ol
SMILESCCCN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1
InChIInChI=1S/C8H16N4O/c1-2-4-12-5-3-7(10-11-9)8(13)6-12/h7-8,13H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyFQWFUBSCVSNHHN-HTQZYQBOSA-N
XLogP1.14
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.14
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 (3R,4R)-4-azido-1-propylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-azido-1-propylpiperidin-3-ol (CID 149434789) is (3R,4R)-4-azido-1-propylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-azido-1-propylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-azido-1-propylpiperidin-3-ol is CCCN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-azido-1-propylpiperidin-3-ol?
The InChIKey is FQWFUBSCVSNHHN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N4O/c1-2-4-12-5-3-7(10-11-9)8(13)6-12/h7-8,13H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-azido-1-propylpiperidin-3-ol?
(3R,4R)-4-azido-1-propylpiperidin-3-ol has a molecular weight of 184.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-1-propylpiperidin-3-ol is sourced from PubChem (CID 149434789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).