[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride

C9H18ClNO — CID 155978315

IUPAC[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride
SMILESCl.OCC1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C9H17NO.ClH/c11-6-9-2-7-1-8(3-9)5-10-4-7;/h7-11H,1-6H2;1H/t7-,8+,9?;
InChIKeyMASLCSKSYYCGLW-VMNZFRLGSA-N
MW191.70 g/mol
LogP1.04
Rot. Bonds1

About [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride

[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride (PubChem CID 155978315) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride
PubChem CID155978315
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride
SMILESCl.OCC1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C9H17NO.ClH/c11-6-9-2-7-1-8(3-9)5-10-4-7;/h7-11H,1-6H2;1H/t7-,8+,9?;
InChIKeyMASLCSKSYYCGLW-VMNZFRLGSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
CID 166104604
(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
(3S)-5-(hydroxymethyl)piperidin-3-ol
CID 59011067
(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
CID 12561268
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
(5-methoxypiperidin-3-yl)methanol
CID 166104648
1,4,7-triazecan-9-ylmethanol
CID 102398679
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride?
The IUPAC name of [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride (CID 155978315) is [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride.
What is the SMILES notation for [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride?
The canonical SMILES for [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride is Cl.OCC1C[C@H]2CNC[C@@H](C1)C2.
What is the InChIKey of [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride?
The InChIKey is MASLCSKSYYCGLW-VMNZFRLGSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c11-6-9-2-7-1-8(3-9)5-10-4-7;/h7-11H,1-6H2;1H/t7-,8+,9?;.
What are the key properties of [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride?
[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride is sourced from PubChem (CID 155978315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).