1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol

C15H24N2O3 — CID 5076514

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15/h1-5,14,18-19H,6-13H2
InChIKeyVONROUSBOZGTLI-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.04
Rot. Bonds7

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 5076514) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID5076514
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15/h1-5,14,18-19H,6-13H2
InChIKeyVONROUSBOZGTLI-UHFFFAOYSA-N
XLogP0.04
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol (CID 5076514) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol is OCCN1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is VONROUSBOZGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(19)13-20-15-4-2-1-3-5-15/h1-5,14,18-19H,6-13H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 5076514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).