3-(4-phenylpiperazin-1-yl)propane-1,2-diol

C13H20N2O2 — CID 3169

💊View drug profile → dropropizine
IUPAC3-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
InChIKeyPTVWPYVOOKLBCG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.16
Rot. Bonds4

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

3-(4-phenylpiperazin-1-yl)propane-1,2-diol (PubChem CID 3169) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)propane-1,2-diol
PubChem CID3169
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name3-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
InChIKeyPTVWPYVOOKLBCG-UHFFFAOYSA-N
XLogP0.16
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Levodropropizine
CID 65859
N-Phenyl diethanolamine
CID 8416
2-(N-ethylanilino)ethanol
CID 62338
2-(N-Methylanilino)ethanol
CID 62340
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
3-(Diphenylamino)propane-1,2-diol
CID 2836165
1-Piperazineethanol, 4-phenyl-
CID 96699
1,2-Propanediol, 3-(3,4-dihydro-1(2H)-quinolinyl)-
CID 458694
1-(Cyclohexyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2933098
(2R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
CID 688451
2-Propanol, 1-diphenylamino-
CID 98335
3-(N-Phenylamino)-1,2-propanediol
CID 91551

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)propane-1,2-diol (CID 3169) is 3-(4-phenylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)propane-1,2-diol is OCC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is PTVWPYVOOKLBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2.
What are the key properties of 3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
3-(4-phenylpiperazin-1-yl)propane-1,2-diol has a molecular weight of 236.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 3169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).