4-(3-hydroxypropyl)-1-methylpiperazin-2-one

C8H16N2O2 — CID 68882761

IUPAC4-(3-hydroxypropyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCCO)CC1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-5-10(3-2-6-11)7-8(9)12/h11H,2-7H2,1H3
InChIKeyLIRMPCBPAKTAML-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds3

About 4-(3-hydroxypropyl)-1-methylpiperazin-2-one

4-(3-hydroxypropyl)-1-methylpiperazin-2-one (PubChem CID 68882761) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-1-methylpiperazin-2-one
PubChem CID68882761
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(3-hydroxypropyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCCO)CC1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-5-10(3-2-6-11)7-8(9)12/h11H,2-7H2,1H3
InChIKeyLIRMPCBPAKTAML-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-hydroxypropyl)-1-methylpiperazin-2-one (CID 68882761) is 4-(3-hydroxypropyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-hydroxypropyl)-1-methylpiperazin-2-one is CN1CCN(CCCO)CC1=O.
What is the InChIKey of 4-(3-hydroxypropyl)-1-methylpiperazin-2-one?
The InChIKey is LIRMPCBPAKTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-4-5-10(3-2-6-11)7-8(9)12/h11H,2-7H2,1H3.
What are the key properties of 4-(3-hydroxypropyl)-1-methylpiperazin-2-one?
4-(3-hydroxypropyl)-1-methylpiperazin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 68882761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).