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

C13H20N2O2 — CID 18784131

IUPAC1-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESCC(O)C(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2/c1-11(16)13(17)15-9-7-14(8-10-15)12-5-3-2-4-6-12/h2-6,11,13,16-17H,7-10H2,1H3
InChIKeyYULDSZDAYLSADA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds3

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

1-(4-phenylpiperazin-1-yl)propane-1,2-diol (PubChem CID 18784131) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)propane-1,2-diol
PubChem CID18784131
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1-(4-phenylpiperazin-1-yl)propane-1,2-diol
SMILESCC(O)C(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2/c1-11(16)13(17)15-9-7-14(8-10-15)12-5-3-2-4-6-12/h2-6,11,13,16-17H,7-10H2,1H3
InChIKeyYULDSZDAYLSADA-UHFFFAOYSA-N
XLogP0.51
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
CID 174726722
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565
1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)propane-1,2-diol (CID 18784131) is 1-(4-phenylpiperazin-1-yl)propane-1,2-diol.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)propane-1,2-diol is CC(O)C(O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)propane-1,2-diol?
The InChIKey is YULDSZDAYLSADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)13(17)15-9-7-14(8-10-15)12-5-3-2-4-6-12/h2-6,11,13,16-17H,7-10H2,1H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)propane-1,2-diol?
1-(4-phenylpiperazin-1-yl)propane-1,2-diol has a molecular weight of 236.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)propane-1,2-diol is sourced from PubChem (CID 18784131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).