1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol

C15H21N5O2 — CID 69083881

IUPAC1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol
SMILESOC(CCc1cn[nH]n1)ON1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N5O2/c21-15(7-6-13-12-16-18-17-13)22-20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12,15,21H,6-11H2,(H,16,17,18)
InChIKeyHITNVFUTLUBPSV-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.81
Rot. Bonds6

About 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol

1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol (PubChem CID 69083881) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol
PubChem CID69083881
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol
SMILESOC(CCc1cn[nH]n1)ON1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N5O2/c21-15(7-6-13-12-16-18-17-13)22-20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12,15,21H,6-11H2,(H,16,17,18)
InChIKeyHITNVFUTLUBPSV-UHFFFAOYSA-N
XLogP0.81
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol (CID 69083881) is 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol is OC(CCc1cn[nH]n1)ON1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is HITNVFUTLUBPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-15(7-6-13-12-16-18-17-13)22-20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-5,12,15,21H,6-11H2,(H,16,17,18).
What are the key properties of 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol?
1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 303.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)oxy-3-(2H-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 69083881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).