ethene;2-piperazin-1-ylethanol

C8H18N2O — CID 175244492

IUPACethene;2-piperazin-1-ylethanol
SMILESC=C.OCCN1CCNCC1
InChIInChI=1S/C6H14N2O.C2H4/c9-6-5-8-3-1-7-2-4-8;1-2/h7,9H,1-6H2;1-2H2
InChIKeyMEYYKZKNMLHGEJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.31
Rot. Bonds2

About ethene;2-piperazin-1-ylethanol

ethene;2-piperazin-1-ylethanol (PubChem CID 175244492) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is ethene;2-piperazin-1-ylethanol.

Molecular Properties

Compound Nameethene;2-piperazin-1-ylethanol
PubChem CID175244492
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Nameethene;2-piperazin-1-ylethanol
SMILESC=C.OCCN1CCNCC1
InChIInChI=1S/C6H14N2O.C2H4/c9-6-5-8-3-1-7-2-4-8;1-2/h7,9H,1-6H2;1-2H2
InChIKeyMEYYKZKNMLHGEJ-UHFFFAOYSA-N
XLogP-0.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747
methanamine;2-piperazin-1-ylethanol
CID 142253011
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
2-(4-deuteriopiperazin-1-yl)ethanol
CID 175688387
3-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-2-methylpropan-1-ol
CID 123836959

Frequently Asked Questions

What is the IUPAC name of ethene;2-piperazin-1-ylethanol?
The IUPAC name of ethene;2-piperazin-1-ylethanol (CID 175244492) is ethene;2-piperazin-1-ylethanol.
What is the SMILES notation for ethene;2-piperazin-1-ylethanol?
The canonical SMILES for ethene;2-piperazin-1-ylethanol is C=C.OCCN1CCNCC1.
What is the InChIKey of ethene;2-piperazin-1-ylethanol?
The InChIKey is MEYYKZKNMLHGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H4/c9-6-5-8-3-1-7-2-4-8;1-2/h7,9H,1-6H2;1-2H2.
What are the key properties of ethene;2-piperazin-1-ylethanol?
ethene;2-piperazin-1-ylethanol has a molecular weight of 158.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-piperazin-1-ylethanol is sourced from PubChem (CID 175244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).