3-piperazin-1-yloxypropane-1,2-diol

C7H16N2O3 — CID 175819854

IUPAC3-piperazin-1-yloxypropane-1,2-diol
SMILESOCC(O)CON1CCNCC1
InChIInChI=1S/C7H16N2O3/c10-5-7(11)6-12-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2
InChIKeyCYQVFMCCFKJYKI-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.82
Rot. Bonds4

About 3-piperazin-1-yloxypropane-1,2-diol

3-piperazin-1-yloxypropane-1,2-diol (PubChem CID 175819854) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-piperazin-1-yloxypropane-1,2-diol.

Molecular Properties

Compound Name3-piperazin-1-yloxypropane-1,2-diol
PubChem CID175819854
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-piperazin-1-yloxypropane-1,2-diol
SMILESOCC(O)CON1CCNCC1
InChIInChI=1S/C7H16N2O3/c10-5-7(11)6-12-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2
InChIKeyCYQVFMCCFKJYKI-UHFFFAOYSA-N
XLogP-1.82
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxypropyl piperazine-1-carboxylate
CID 174287516
6-piperazin-1-ylhexane-1,2-diol
CID 146264990
3-piperazin-1-yloxybutan-2-ol
CID 22485419
3-alumanyloxypropane-1,2-diol;hydrate
CID 175040136
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
3-piperazin-1-ylbutane-1,2-diol
CID 163627415
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
CID 163688577
1-piperazin-1-yloxypiperazine;dihydrochloride
CID 174358981
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol
CID 70652891
(2S)-3-[4-[(3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]butane-1,2,4-triol;tetrahydrochloride
CID 175675084

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yloxypropane-1,2-diol?
The IUPAC name of 3-piperazin-1-yloxypropane-1,2-diol (CID 175819854) is 3-piperazin-1-yloxypropane-1,2-diol.
What is the SMILES notation for 3-piperazin-1-yloxypropane-1,2-diol?
The canonical SMILES for 3-piperazin-1-yloxypropane-1,2-diol is OCC(O)CON1CCNCC1.
What is the InChIKey of 3-piperazin-1-yloxypropane-1,2-diol?
The InChIKey is CYQVFMCCFKJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c10-5-7(11)6-12-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2.
What are the key properties of 3-piperazin-1-yloxypropane-1,2-diol?
3-piperazin-1-yloxypropane-1,2-diol has a molecular weight of 176.22 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yloxypropane-1,2-diol is sourced from PubChem (CID 175819854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).