2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol

C14H19NO — CID 104549231

IUPAC2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(N2CC3(CCC3)C2)cc1
InChIInChI=1S/C14H19NO/c16-9-6-12-2-4-13(5-3-12)15-10-14(11-15)7-1-8-14/h2-5,16H,1,6-11H2
InChIKeyKWUPZEXOBVAROQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol

2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol (PubChem CID 104549231) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol
PubChem CID104549231
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(N2CC3(CCC3)C2)cc1
InChIInChI=1S/C14H19NO/c16-9-6-12-2-4-13(5-3-12)15-10-14(11-15)7-1-8-14/h2-5,16H,1,6-11H2
InChIKeyKWUPZEXOBVAROQ-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol (CID 104549231) is 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol is OCCc1ccc(N2CC3(CCC3)C2)cc1.
What is the InChIKey of 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol?
The InChIKey is KWUPZEXOBVAROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-9-6-12-2-4-13(5-3-12)15-10-14(11-15)7-1-8-14/h2-5,16H,1,6-11H2.
What are the key properties of 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol?
2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol has a molecular weight of 217.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol is sourced from PubChem (CID 104549231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).