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

C9H20N2O2 — CID 89227148

IUPAC2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESCC(O)N1CCN(C(C)CO)CC1
InChIInChI=1S/C9H20N2O2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h8-9,12-13H,3-7H2,1-2H3
InChIKeyGMZKAHABOWHNFF-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.68
Rot. Bonds3

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

2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol (PubChem CID 89227148) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
PubChem CID89227148
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESCC(O)N1CCN(C(C)CO)CC1
InChIInChI=1S/C9H20N2O2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h8-9,12-13H,3-7H2,1-2H3
InChIKeyGMZKAHABOWHNFF-UHFFFAOYSA-N
XLogP-0.68
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol (CID 89227148) is 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol is CC(O)N1CCN(C(C)CO)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is GMZKAHABOWHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol?
2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 89227148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).