8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol

C10H18ClNO — CID 63769942

IUPAC8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCl
InChIInChI=1S/C10H18ClNO/c11-4-1-5-12-8-2-3-9(12)7-10(13)6-8/h8-10,13H,1-7H2
InChIKeyGWAURZJQLUJQJL-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.60
Rot. Bonds3

About 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769942) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769942
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCl
InChIInChI=1S/C10H18ClNO/c11-4-1-5-12-8-2-3-9(12)7-10(13)6-8/h8-10,13H,1-7H2
InChIKeyGWAURZJQLUJQJL-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769942) is 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCCCl.
What is the InChIKey of 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GWAURZJQLUJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-4-1-5-12-8-2-3-9(12)7-10(13)6-8/h8-10,13H,1-7H2.
What are the key properties of 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 203.71 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).