2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C15H24N2O — CID 95169829

IUPAC2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CNCCN1CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c18-12-8-15-13-16-9-11-17(15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2/t15-/m1/s1
InChIKeyBFYOKHQZIUOVLS-OAHLLOKOSA-N
MW248.37 g/mol
LogP1.28
Rot. Bonds6

About 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 95169829) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID95169829
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CNCCN1CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c18-12-8-15-13-16-9-11-17(15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2/t15-/m1/s1
InChIKeyBFYOKHQZIUOVLS-OAHLLOKOSA-N
XLogP1.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 95169829) is 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCC[C@@H]1CNCCN1CCCc1ccccc1.
What is the InChIKey of 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is BFYOKHQZIUOVLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O/c18-12-8-15-13-16-9-11-17(15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95169829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).