bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H26N4O3 — CID 127579873

IUPACbis[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H26N4O3/c18-11-9-14-1-5-16(6-2-14)13(20)17-7-3-15(4-8-17)10-12-19/h18-19H,1-12H2
InChIKeyHULKUVQQTWPDRP-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.67
Rot. Bonds4

About bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone

bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 127579873) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID127579873
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Namebis[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H26N4O3/c18-11-9-14-1-5-16(6-2-14)13(20)17-7-3-15(4-8-17)10-12-19/h18-19H,1-12H2
InChIKeyHULKUVQQTWPDRP-UHFFFAOYSA-N
XLogP-1.67
TPSA70.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 127579873) is bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(N1CCN(CCO)CC1)N1CCN(CCO)CC1.
What is the InChIKey of bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is HULKUVQQTWPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c18-11-9-14-1-5-16(6-2-14)13(20)17-7-3-15(4-8-17)10-12-19/h18-19H,1-12H2.
What are the key properties of bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 286.38 g/mol, XLogP of -1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 127579873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).