3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol

C10H23N3O2 — CID 77011342

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
SMILESCN1CCN(C)C(CNCC(O)CO)C1
InChIInChI=1S/C10H23N3O2/c1-12-3-4-13(2)9(7-12)5-11-6-10(15)8-14/h9-11,14-15H,3-8H2,1-2H3
InChIKeyREVMSCIQPDYZIL-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.83
Rot. Bonds5

About 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol

3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol (PubChem CID 77011342) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
PubChem CID77011342
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
SMILESCN1CCN(C)C(CNCC(O)CO)C1
InChIInChI=1S/C10H23N3O2/c1-12-3-4-13(2)9(7-12)5-11-6-10(15)8-14/h9-11,14-15H,3-8H2,1-2H3
InChIKeyREVMSCIQPDYZIL-UHFFFAOYSA-N
XLogP-1.83
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol (CID 77011342) is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol is CN1CCN(C)C(CNCC(O)CO)C1.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol?
The InChIKey is REVMSCIQPDYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-12-3-4-13(2)9(7-12)5-11-6-10(15)8-14/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol?
3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol has a molecular weight of 217.31 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 77011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).