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

C8H16ClNO — CID 71464259

IUPAC[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride
SMILESCl.OCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NO.ClH/c10-5-6-3-7-1-2-8(4-6)9-7;/h6-10H,1-5H2;1H/t6?,7-,8+;
InChIKeyKBDRFDLINZOCBD-OPZYXJLOSA-N
MW177.67 g/mol
LogP0.93
Rot. Bonds1

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

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride (PubChem CID 71464259) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride
PubChem CID71464259
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride
SMILESCl.OCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NO.ClH/c10-5-6-3-7-1-2-8(4-6)9-7;/h6-10H,1-5H2;1H/t6?,7-,8+;
InChIKeyKBDRFDLINZOCBD-OPZYXJLOSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.93
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-yl]methanol;hydrochloride?
The IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride (CID 71464259) is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride?
The canonical SMILES for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride is Cl.OCC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride?
The InChIKey is KBDRFDLINZOCBD-OPZYXJLOSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c10-5-6-3-7-1-2-8(4-6)9-7;/h6-10H,1-5H2;1H/t6?,7-,8+;.
What are the key properties of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride?
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 0.93, 1 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-yl]methanol;hydrochloride is sourced from PubChem (CID 71464259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).