4-piperazin-1-ylpyrrolidin-3-ol

C8H17N3O — CID 63701856

IUPAC4-piperazin-1-ylpyrrolidin-3-ol
SMILESOC1CNCC1N1CCNCC1
InChIInChI=1S/C8H17N3O/c12-8-6-10-5-7(8)11-3-1-9-2-4-11/h7-10,12H,1-6H2
InChIKeyXCQKGRUMUUYHMJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.78
Rot. Bonds1

About 4-piperazin-1-ylpyrrolidin-3-ol

4-piperazin-1-ylpyrrolidin-3-ol (PubChem CID 63701856) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-piperazin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-piperazin-1-ylpyrrolidin-3-ol
PubChem CID63701856
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-piperazin-1-ylpyrrolidin-3-ol
SMILESOC1CNCC1N1CCNCC1
InChIInChI=1S/C8H17N3O/c12-8-6-10-5-7(8)11-3-1-9-2-4-11/h7-10,12H,1-6H2
InChIKeyXCQKGRUMUUYHMJ-UHFFFAOYSA-N
XLogP-1.78
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyrrolidin-3-ol?
The IUPAC name of 4-piperazin-1-ylpyrrolidin-3-ol (CID 63701856) is 4-piperazin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-piperazin-1-ylpyrrolidin-3-ol?
The canonical SMILES for 4-piperazin-1-ylpyrrolidin-3-ol is OC1CNCC1N1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylpyrrolidin-3-ol?
The InChIKey is XCQKGRUMUUYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c12-8-6-10-5-7(8)11-3-1-9-2-4-11/h7-10,12H,1-6H2.
What are the key properties of 4-piperazin-1-ylpyrrolidin-3-ol?
4-piperazin-1-ylpyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of -1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 63701856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).