8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H22ClNO — CID 63769761

IUPAC8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCCl
InChIInChI=1S/C12H22ClNO/c13-6-2-1-3-7-14-10-4-5-11(14)9-12(15)8-10/h10-12,15H,1-9H2
InChIKeyJAPBLKDGQLNCRA-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.38
Rot. Bonds5

About 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769761) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769761
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCCl
InChIInChI=1S/C12H22ClNO/c13-6-2-1-3-7-14-10-4-5-11(14)9-12(15)8-10/h10-12,15H,1-9H2
InChIKeyJAPBLKDGQLNCRA-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.38
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-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769761) is 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCCCCCl.
What is the InChIKey of 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JAPBLKDGQLNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-6-2-1-3-7-14-10-4-5-11(14)9-12(15)8-10/h10-12,15H,1-9H2.
What are the key properties of 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 231.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).