1-(1-hydroxypropyl)piperazin-2-one

C7H14N2O2 — CID 21270390

IUPAC1-(1-hydroxypropyl)piperazin-2-one
SMILESCCC(O)N1CCNCC1=O
InChIInChI=1S/C7H14N2O2/c1-2-6(10)9-4-3-8-5-7(9)11/h6,8,10H,2-5H2,1H3
InChIKeyBEEBNZQKDZRJLT-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.85
Rot. Bonds2

About 1-(1-hydroxypropyl)piperazin-2-one

1-(1-hydroxypropyl)piperazin-2-one (PubChem CID 21270390) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(1-hydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-hydroxypropyl)piperazin-2-one
PubChem CID21270390
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(1-hydroxypropyl)piperazin-2-one
SMILESCCC(O)N1CCNCC1=O
InChIInChI=1S/C7H14N2O2/c1-2-6(10)9-4-3-8-5-7(9)11/h6,8,10H,2-5H2,1H3
InChIKeyBEEBNZQKDZRJLT-UHFFFAOYSA-N
XLogP-0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropyl)piperazin-2-one?
The IUPAC name of 1-(1-hydroxypropyl)piperazin-2-one (CID 21270390) is 1-(1-hydroxypropyl)piperazin-2-one.
What is the SMILES notation for 1-(1-hydroxypropyl)piperazin-2-one?
The canonical SMILES for 1-(1-hydroxypropyl)piperazin-2-one is CCC(O)N1CCNCC1=O.
What is the InChIKey of 1-(1-hydroxypropyl)piperazin-2-one?
The InChIKey is BEEBNZQKDZRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-6(10)9-4-3-8-5-7(9)11/h6,8,10H,2-5H2,1H3.
What are the key properties of 1-(1-hydroxypropyl)piperazin-2-one?
1-(1-hydroxypropyl)piperazin-2-one has a molecular weight of 158.20 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropyl)piperazin-2-one is sourced from PubChem (CID 21270390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).