4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol

C13H17NO — CID 84777454

IUPAC4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
SMILESOc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C13H17NO/c15-12-3-1-10(2-4-12)7-13-6-5-11(13)8-14-9-13/h1-4,11,14-15H,5-9H2
InChIKeyVWNOGVGHLJFSMA-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.93
Rot. Bonds2

About 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol

4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol (PubChem CID 84777454) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
PubChem CID84777454
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
SMILESOc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C13H17NO/c15-12-3-1-10(2-4-12)7-13-6-5-11(13)8-14-9-13/h1-4,11,14-15H,5-9H2
InChIKeyVWNOGVGHLJFSMA-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84778581
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84776446
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
3-(1-benzylcyclopropyl)pyrrolidine
CID 83908409
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
CID 84734044
4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
CID 125450482
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
CID 105460442
4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115025240

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol?
The IUPAC name of 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol (CID 84777454) is 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol.
What is the SMILES notation for 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol?
The canonical SMILES for 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol is Oc1ccc(CC23CCC2CNC3)cc1.
What is the InChIKey of 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol?
The InChIKey is VWNOGVGHLJFSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-3-1-10(2-4-12)7-13-6-5-11(13)8-14-9-13/h1-4,11,14-15H,5-9H2.
What are the key properties of 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol?
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol has a molecular weight of 203.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol is sourced from PubChem (CID 84777454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).