1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methanol

2.1.2 InChI

InChI=1S/C8H15NO/c10-6-8-5-9-3-1-7(8)2-4-9/h7-8,10H,1-6H2/t8-/m0/s1

2.1.3 InChI Key

GUAWHSHTXVVCLZ-QMMMGPOBSA-N

2.1.4 Canonical SMILES

C1CN2CCC1C(C2)CO

2.1.5 Isomeric SMILES

C1CN2CCC1[C@@H](C2)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88644-21-7

2. 1-azabicyclo[2.2.2]octane-3-methanol, (s)-

3. (s)-quinuclidine-3-methanol

4. Schembl18268169

5. Zinc6658105

2.3 Create Date

2006-07-30

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO
Molecular Weight	141.21 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	141.115364102 g/mol
Monoisotopic Mass	141.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 88644-21-7