2-(3-propan-2-ylpiperazin-1-yl)ethanol

C9H20N2O — CID 82668438

IUPAC2-(3-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)C1CN(CCO)CCN1
InChIInChI=1S/C9H20N2O/c1-8(2)9-7-11(5-6-12)4-3-10-9/h8-10,12H,3-7H2,1-2H3
InChIKeyCLOKQOIWMKSAHW-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-(3-propan-2-ylpiperazin-1-yl)ethanol

2-(3-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 82668438) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(3-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID82668438
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(3-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)C1CN(CCO)CCN1
InChIInChI=1S/C9H20N2O/c1-8(2)9-7-11(5-6-12)4-3-10-9/h8-10,12H,3-7H2,1-2H3
InChIKeyCLOKQOIWMKSAHW-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3-propan-2-ylpiperazin-1-yl)ethanol (CID 82668438) is 2-(3-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3-propan-2-ylpiperazin-1-yl)ethanol is CC(C)C1CN(CCO)CCN1.
What is the InChIKey of 2-(3-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is CLOKQOIWMKSAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)9-7-11(5-6-12)4-3-10-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylpiperazin-1-yl)ethanol?
2-(3-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 82668438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).