(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol

C14H19NO — CID 175622247

IUPAC(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
SMILESCc1ccc([C@@]2(O)CN3CCCCC32)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3/t13?,14-/m0/s1
InChIKeyYWRGPVCWZNZGJZ-KZUDCZAMSA-N
MW217.31 g/mol
LogP2.05
Rot. Bonds1

About (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol

(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol (PubChem CID 175622247) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
PubChem CID175622247
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
SMILESCc1ccc([C@@]2(O)CN3CCCCC32)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3/t13?,14-/m0/s1
InChIKeyYWRGPVCWZNZGJZ-KZUDCZAMSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-phenylpiperidin-4-ol
CID 78670
1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 658259
1-Ethyl-2,5-dimethyl-4-phenyl-4-piperidinol
CID 3104851
3-(4-Methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
CID 6463336
1,2,5-Trimethyl-4-(4-methylphenyl)piperidin-4-ol
CID 550653
alpha-Ethyl-alpha-phenyl-1-piperidinepropanol
CID 566573
2-(4-Phenylphenyl)-4-piperidin-1-ylbutan-2-ol
CID 57156280
1-Piperidineethanol, alpha,alpha-diphenyl-
CID 199665
1,1-Diphenyl-2-(piperidin-1-yl)propan-1-ol--hydrogen chloride (1/1)
CID 201525
1-(Dimethylamino)-2-phenylbutan-2-ol
CID 20561659
4-Phenyl-1-(1-phenylpropan-2-yl)piperidin-4-ol
CID 44426805
1,2,3-Trimethyl-4-phenylpiperidin-4-ol
CID 2838298

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The IUPAC name of (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol (CID 175622247) is (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The canonical SMILES for (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol is Cc1ccc([C@@]2(O)CN3CCCCC32)cc1.
What is the InChIKey of (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The InChIKey is YWRGPVCWZNZGJZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3/t13?,14-/m0/s1.
What are the key properties of (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
(7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol has a molecular weight of 217.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 175622247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).