2-(4-methanidylpiperazin-1-yl)ethanol

C7H15N2O- — CID 20723281

IUPAC2-(4-methanidylpiperazin-1-yl)ethanol
SMILES[CH2-]N1CCN(CCO)CC1
InChIInChI=1S/C7H15N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,1-7H2/q-1
InChIKeyMJPORQKCUOQNGH-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.61
Rot. Bonds2

About 2-(4-methanidylpiperazin-1-yl)ethanol

2-(4-methanidylpiperazin-1-yl)ethanol (PubChem CID 20723281) has the molecular formula C7H15N2O- and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-(4-methanidylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methanidylpiperazin-1-yl)ethanol
PubChem CID20723281
Molecular FormulaC7H15N2O-
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name2-(4-methanidylpiperazin-1-yl)ethanol
SMILES[CH2-]N1CCN(CCO)CC1
InChIInChI=1S/C7H15N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,1-7H2/q-1
InChIKeyMJPORQKCUOQNGH-UHFFFAOYSA-N
XLogP-0.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide
CID 63703561

Frequently Asked Questions

What is the IUPAC name of 2-(4-methanidylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-methanidylpiperazin-1-yl)ethanol (CID 20723281) is 2-(4-methanidylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-methanidylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-methanidylpiperazin-1-yl)ethanol is [CH2-]N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-methanidylpiperazin-1-yl)ethanol?
The InChIKey is MJPORQKCUOQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,1-7H2/q-1.
What are the key properties of 2-(4-methanidylpiperazin-1-yl)ethanol?
2-(4-methanidylpiperazin-1-yl)ethanol has a molecular weight of 143.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methanidylpiperazin-1-yl)ethanol is sourced from PubChem (CID 20723281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).