2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol

C12H26N4O — CID 19981525

IUPAC2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol
SMILESCC(N1CCNCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H26N4O/c1-12(15-4-2-13-3-5-15)16-8-6-14(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3
InChIKeyMEQHZKREQFDLFN-UHFFFAOYSA-N
MW242.37 g/mol
LogP-1.15
Rot. Bonds4

About 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol

2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol (PubChem CID 19981525) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol
PubChem CID19981525
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol
SMILESCC(N1CCNCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H26N4O/c1-12(15-4-2-13-3-5-15)16-8-6-14(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3
InChIKeyMEQHZKREQFDLFN-UHFFFAOYSA-N
XLogP-1.15
TPSA41.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol (CID 19981525) is 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol is CC(N1CCNCC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol?
The InChIKey is MEQHZKREQFDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(15-4-2-13-3-5-15)16-8-6-14(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3.
What are the key properties of 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol?
2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol has a molecular weight of 242.37 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 19981525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).