ethane;6-(hydroxymethyl)piperazin-2-one

C7H16N2O2 — CID 170608951

IUPACethane;6-(hydroxymethyl)piperazin-2-one
SMILESCC.O=C1CNCC(CO)N1
InChIInChI=1S/C5H10N2O2.C2H6/c8-3-4-1-6-2-5(9)7-4;1-2/h4,6,8H,1-3H2,(H,7,9);1-2H3
InChIKeyDBAKHNKEEOHGIH-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.91
Rot. Bonds1

About ethane;6-(hydroxymethyl)piperazin-2-one

ethane;6-(hydroxymethyl)piperazin-2-one (PubChem CID 170608951) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethane;6-(hydroxymethyl)piperazin-2-one.

Molecular Properties

Compound Nameethane;6-(hydroxymethyl)piperazin-2-one
PubChem CID170608951
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethane;6-(hydroxymethyl)piperazin-2-one
SMILESCC.O=C1CNCC(CO)N1
InChIInChI=1S/C5H10N2O2.C2H6/c8-3-4-1-6-2-5(9)7-4;1-2/h4,6,8H,1-3H2,(H,7,9);1-2H3
InChIKeyDBAKHNKEEOHGIH-UHFFFAOYSA-N
XLogP-0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
CID 139344034
tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 70112562
6-bromopiperazin-2-one
CID 75132381
(6-oxopiperazin-2-yl) acetate
CID 174447712
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
3-(hydroxymethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 84772735
6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
CID 68639671
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
[(2R,6R)-6-methylpiperazin-2-yl]methanol
CID 146306061
6-[(4Z,6Z)-7-butoxy-6-methoxy-3-methylideneocta-4,6-dienyl]piperazin-2-one
CID 143332314

Frequently Asked Questions

What is the IUPAC name of ethane;6-(hydroxymethyl)piperazin-2-one?
The IUPAC name of ethane;6-(hydroxymethyl)piperazin-2-one (CID 170608951) is ethane;6-(hydroxymethyl)piperazin-2-one.
What is the SMILES notation for ethane;6-(hydroxymethyl)piperazin-2-one?
The canonical SMILES for ethane;6-(hydroxymethyl)piperazin-2-one is CC.O=C1CNCC(CO)N1.
What is the InChIKey of ethane;6-(hydroxymethyl)piperazin-2-one?
The InChIKey is DBAKHNKEEOHGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C2H6/c8-3-4-1-6-2-5(9)7-4;1-2/h4,6,8H,1-3H2,(H,7,9);1-2H3.
What are the key properties of ethane;6-(hydroxymethyl)piperazin-2-one?
ethane;6-(hydroxymethyl)piperazin-2-one has a molecular weight of 160.22 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(hydroxymethyl)piperazin-2-one is sourced from PubChem (CID 170608951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).