3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol

C10H18N2O2 — CID 163614690

IUPAC3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol
SMILESCC#CN1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-11-4-6-12(7-5-11)8-10(14)9-13/h10,13-14H,4-9H2,1H3
InChIKeyHIZCEYGFZOKZNG-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.06
Rot. Bonds3

About 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol

3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol (PubChem CID 163614690) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol
PubChem CID163614690
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol
SMILESCC#CN1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-11-4-6-12(7-5-11)8-10(14)9-13/h10,13-14H,4-9H2,1H3
InChIKeyHIZCEYGFZOKZNG-UHFFFAOYSA-N
XLogP-1.06
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol 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

3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
CID 139832285
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]butanethioamide
CID 82850791
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]ethanethioamide
CID 82850666
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
3-[4,7-bis(4-aminophenyl)-1,4,7-triazonan-1-yl]propane-1,2-diol
CID 23103836
3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961

Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol (CID 163614690) is 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol is CC#CN1CCN(CC(O)CO)CC1.
What is the InChIKey of 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is HIZCEYGFZOKZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-11-4-6-12(7-5-11)8-10(14)9-13/h10,13-14H,4-9H2,1H3.
What are the key properties of 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol?
3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol has a molecular weight of 198.27 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 163614690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).