1-(4-phenylpyrrolidin-3-yl)ethanol

C12H17NO — CID 23009402

IUPAC1-(4-phenylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CNCC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3
InChIKeySGXYBWVJXUEQFY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.37
Rot. Bonds2

About 1-(4-phenylpyrrolidin-3-yl)ethanol

1-(4-phenylpyrrolidin-3-yl)ethanol (PubChem CID 23009402) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-phenylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-phenylpyrrolidin-3-yl)ethanol
PubChem CID23009402
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-phenylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CNCC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3
InChIKeySGXYBWVJXUEQFY-UHFFFAOYSA-N
XLogP1.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(4-phenylpyrrolidin-3-yl)ethanol (CID 23009402) is 1-(4-phenylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(4-phenylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(4-phenylpyrrolidin-3-yl)ethanol is CC(O)C1CNCC1c1ccccc1.
What is the InChIKey of 1-(4-phenylpyrrolidin-3-yl)ethanol?
The InChIKey is SGXYBWVJXUEQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14)11-7-13-8-12(11)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3.
What are the key properties of 1-(4-phenylpyrrolidin-3-yl)ethanol?
1-(4-phenylpyrrolidin-3-yl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 23009402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).