3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol

C14H19NO — CID 129386349

IUPAC3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESOc1cccc([C@@]23CCC[C@@H](C2)NCC3)c1
InChIInChI=1S/C14H19NO/c16-13-5-1-3-11(9-13)14-6-2-4-12(10-14)15-8-7-14/h1,3,5,9,12,15-16H,2,4,6-8,10H2/t12-,14+/m0/s1
InChIKeyYMUHZPKKTYUSQW-GXTWGEPZSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds1

About 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol

3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol (PubChem CID 129386349) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol.

Molecular Properties

Compound Name3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
PubChem CID129386349
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESOc1cccc([C@@]23CCC[C@@H](C2)NCC3)c1
InChIInChI=1S/C14H19NO/c16-13-5-1-3-11(9-13)14-6-2-4-12(10-14)15-8-7-14/h1,3,5,9,12,15-16H,2,4,6-8,10H2/t12-,14+/m0/s1
InChIKeyYMUHZPKKTYUSQW-GXTWGEPZSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
CID 22015306
2-(2-azabicyclo[3.1.1]heptan-5-yl)phenol
CID 115068367
3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
CID 3045872
3-[(1S,5R)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 46877850
3-(2-prop-2-enyl-2-azabicyclo[4.2.1]nonan-6-yl)phenol
CID 12827431
ethene;3-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 170752331
3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 73353693
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179
3-[(3aS,6aS)-1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]phenol
CID 102361150
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The IUPAC name of 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol (CID 129386349) is 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol.
What is the SMILES notation for 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The canonical SMILES for 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol is Oc1cccc([C@@]23CCC[C@@H](C2)NCC3)c1.
What is the InChIKey of 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The InChIKey is YMUHZPKKTYUSQW-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19NO/c16-13-5-1-3-11(9-13)14-6-2-4-12(10-14)15-8-7-14/h1,3,5,9,12,15-16H,2,4,6-8,10H2/t12-,14+/m0/s1.
What are the key properties of 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol has a molecular weight of 217.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol is sourced from PubChem (CID 129386349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).