8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H21NO — CID 3124964

IUPAC8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
InChIKeySQVLEVBFFCTROY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.22
Rot. Bonds3

About 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3124964) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3124964
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
InChIKeySQVLEVBFFCTROY-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 3124964) is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SQVLEVBFFCTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2.
What are the key properties of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3124964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).