(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C7H14ClNO — CID 21116012

IUPAC(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7?;
InChIKeyRROJVSOIIWHLCQ-VPEOJXMDSA-N
MW163.65 g/mol
LogP0.68
Rot. Bonds

About (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 21116012) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID21116012
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7?;
InChIKeyRROJVSOIIWHLCQ-VPEOJXMDSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 21116012) is (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is RROJVSOIIWHLCQ-VPEOJXMDSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7?;.
What are the key properties of (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 21116012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).