8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H20ClNO — CID 63769580

IUPAC8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCl
InChIInChI=1S/C11H20ClNO/c12-5-1-2-6-13-9-3-4-10(13)8-11(14)7-9/h9-11,14H,1-8H2
InChIKeySPPNPKBJGURIDZ-UHFFFAOYSA-N
MW217.74 g/mol
LogP1.99
Rot. Bonds4

About 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769580) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769580
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCl
InChIInChI=1S/C11H20ClNO/c12-5-1-2-6-13-9-3-4-10(13)8-11(14)7-9/h9-11,14H,1-8H2
InChIKeySPPNPKBJGURIDZ-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769580) is 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCCCCl.
What is the InChIKey of 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SPPNPKBJGURIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-5-1-2-6-13-9-3-4-10(13)8-11(14)7-9/h9-11,14H,1-8H2.
What are the key properties of 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 217.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).