3-piperazin-1-yloxybutan-2-ol

C8H18N2O2 — CID 22485419

IUPAC3-piperazin-1-yloxybutan-2-ol
SMILESCC(O)C(C)ON1CCNCC1
InChIInChI=1S/C8H18N2O2/c1-7(11)8(2)12-10-5-3-9-4-6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyUAMBBTJXTDUOHH-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.41
Rot. Bonds3

About 3-piperazin-1-yloxybutan-2-ol

3-piperazin-1-yloxybutan-2-ol (PubChem CID 22485419) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-piperazin-1-yloxybutan-2-ol.

Molecular Properties

Compound Name3-piperazin-1-yloxybutan-2-ol
PubChem CID22485419
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-piperazin-1-yloxybutan-2-ol
SMILESCC(O)C(C)ON1CCNCC1
InChIInChI=1S/C8H18N2O2/c1-7(11)8(2)12-10-5-3-9-4-6-10/h7-9,11H,3-6H2,1-2H3
InChIKeyUAMBBTJXTDUOHH-UHFFFAOYSA-N
XLogP-0.41
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-yloxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperazin-1-yl acetate
CID 54492305
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
dipiperazin-1-yl oxalate
CID 57296724
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
CID 62310668
methane;1-methoxypiperazine
CID 157354149
methane;1-methoxypiperazine
CID 142233800
ethane;1-methoxypiperazine
CID 142806936
piperazin-1-yl propanoate
CID 12863406
1-piperazin-1-yloxypiperazine;dihydrochloride
CID 174358981
methoxy(piperazin-1-yl)methanol
CID 154545795
3-piperazin-1-yloxypropane-1,2-diol
CID 175819854

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yloxybutan-2-ol?
The IUPAC name of 3-piperazin-1-yloxybutan-2-ol (CID 22485419) is 3-piperazin-1-yloxybutan-2-ol.
What is the SMILES notation for 3-piperazin-1-yloxybutan-2-ol?
The canonical SMILES for 3-piperazin-1-yloxybutan-2-ol is CC(O)C(C)ON1CCNCC1.
What is the InChIKey of 3-piperazin-1-yloxybutan-2-ol?
The InChIKey is UAMBBTJXTDUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(11)8(2)12-10-5-3-9-4-6-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-piperazin-1-yloxybutan-2-ol?
3-piperazin-1-yloxybutan-2-ol has a molecular weight of 174.24 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yloxybutan-2-ol is sourced from PubChem (CID 22485419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).