1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol

C16H24N2O — CID 63170127

IUPAC1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H24N2O/c1-13(19)15-6-2-3-7-16(15)18-11-8-14(12-18)17-9-4-5-10-17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3
InChIKeyGGABENLQSDSTOJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds3

About 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol

1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 63170127) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID63170127
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H24N2O/c1-13(19)15-6-2-3-7-16(15)18-11-8-14(12-18)17-9-4-5-10-17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3
InChIKeyGGABENLQSDSTOJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol (CID 63170127) is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1ccccc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is GGABENLQSDSTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(19)15-6-2-3-7-16(15)18-11-8-14(12-18)17-9-4-5-10-17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3.
What are the key properties of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol?
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63170127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).