1,2-di(piperazin-1-yl)propan-2-ol

C11H24N4O — CID 57284131

IUPAC1,2-di(piperazin-1-yl)propan-2-ol
SMILESCC(O)(CN1CCNCC1)N1CCNCC1
InChIInChI=1S/C11H24N4O/c1-11(16,15-8-4-13-5-9-15)10-14-6-2-12-3-7-14/h12-13,16H,2-10H2,1H3
InChIKeyIRWWPIPBLNCAJO-UHFFFAOYSA-N
MW228.34 g/mol
LogP-1.49
Rot. Bonds3

About 1,2-di(piperazin-1-yl)propan-2-ol

1,2-di(piperazin-1-yl)propan-2-ol (PubChem CID 57284131) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,2-di(piperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,2-di(piperazin-1-yl)propan-2-ol
PubChem CID57284131
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1,2-di(piperazin-1-yl)propan-2-ol
SMILESCC(O)(CN1CCNCC1)N1CCNCC1
InChIInChI=1S/C11H24N4O/c1-11(16,15-8-4-13-5-9-15)10-14-6-2-12-3-7-14/h12-13,16H,2-10H2,1H3
InChIKeyIRWWPIPBLNCAJO-UHFFFAOYSA-N
XLogP-1.49
TPSA50.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(piperazin-1-yl)propan-2-ol?
The IUPAC name of 1,2-di(piperazin-1-yl)propan-2-ol (CID 57284131) is 1,2-di(piperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1,2-di(piperazin-1-yl)propan-2-ol?
The canonical SMILES for 1,2-di(piperazin-1-yl)propan-2-ol is CC(O)(CN1CCNCC1)N1CCNCC1.
What is the InChIKey of 1,2-di(piperazin-1-yl)propan-2-ol?
The InChIKey is IRWWPIPBLNCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-11(16,15-8-4-13-5-9-15)10-14-6-2-12-3-7-14/h12-13,16H,2-10H2,1H3.
What are the key properties of 1,2-di(piperazin-1-yl)propan-2-ol?
1,2-di(piperazin-1-yl)propan-2-ol has a molecular weight of 228.34 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(piperazin-1-yl)propan-2-ol is sourced from PubChem (CID 57284131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).