1-(1-hydroxypropyl)-6-methylpiperazin-2-one

C8H16N2O2 — CID 21270401

IUPAC1-(1-hydroxypropyl)-6-methylpiperazin-2-one
SMILESCCC(O)N1C(=O)CNCC1C
InChIInChI=1S/C8H16N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyJPRQGMWHEIRLCV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.46
Rot. Bonds2

About 1-(1-hydroxypropyl)-6-methylpiperazin-2-one

1-(1-hydroxypropyl)-6-methylpiperazin-2-one (PubChem CID 21270401) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(1-hydroxypropyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(1-hydroxypropyl)-6-methylpiperazin-2-one
PubChem CID21270401
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(1-hydroxypropyl)-6-methylpiperazin-2-one
SMILESCCC(O)N1C(=O)CNCC1C
InChIInChI=1S/C8H16N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyJPRQGMWHEIRLCV-UHFFFAOYSA-N
XLogP-0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropyl)-6-methylpiperazin-2-one?
The IUPAC name of 1-(1-hydroxypropyl)-6-methylpiperazin-2-one (CID 21270401) is 1-(1-hydroxypropyl)-6-methylpiperazin-2-one.
What is the SMILES notation for 1-(1-hydroxypropyl)-6-methylpiperazin-2-one?
The canonical SMILES for 1-(1-hydroxypropyl)-6-methylpiperazin-2-one is CCC(O)N1C(=O)CNCC1C.
What is the InChIKey of 1-(1-hydroxypropyl)-6-methylpiperazin-2-one?
The InChIKey is JPRQGMWHEIRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-7(11)10-6(2)4-9-5-8(10)12/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 1-(1-hydroxypropyl)-6-methylpiperazin-2-one?
1-(1-hydroxypropyl)-6-methylpiperazin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 21270401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).