4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one

C10H21N3O2 — CID 67598675

IUPAC4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one
SMILESCN(C)CCC(O)CN1CCNC(=O)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)5-3-9(14)7-13-6-4-11-10(15)8-13/h9,14H,3-8H2,1-2H3,(H,11,15)
InChIKeyKSUHMBRIBXAVLN-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.27
Rot. Bonds5

About 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one

4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one (PubChem CID 67598675) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one
PubChem CID67598675
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one
SMILESCN(C)CCC(O)CN1CCNC(=O)C1
InChIInChI=1S/C10H21N3O2/c1-12(2)5-3-9(14)7-13-6-4-11-10(15)8-13/h9,14H,3-8H2,1-2H3,(H,11,15)
InChIKeyKSUHMBRIBXAVLN-UHFFFAOYSA-N
XLogP-1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one?
The IUPAC name of 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one (CID 67598675) is 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one is CN(C)CCC(O)CN1CCNC(=O)C1.
What is the InChIKey of 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one?
The InChIKey is KSUHMBRIBXAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12(2)5-3-9(14)7-13-6-4-11-10(15)8-13/h9,14H,3-8H2,1-2H3,(H,11,15).
What are the key properties of 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one?
4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one has a molecular weight of 215.30 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one is sourced from PubChem (CID 67598675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).