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

C13H20N2O2 — CID 688451

IUPAC(2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESOC[C@H](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/t13-/m1/s1
InChIKeyPTVWPYVOOKLBCG-CYBMUJFWSA-N
MW236.32 g/mol
LogP0.16
Rot. Bonds4

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

(2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol (PubChem CID 688451) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
PubChem CID688451
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name(2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESOC[C@H](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/t13-/m1/s1
InChIKeyPTVWPYVOOKLBCG-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol (CID 688451) is (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol is OC[C@H](O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is PTVWPYVOOKLBCG-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol?
(2R)-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 (2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 688451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).