3-(4-propylpiperazin-1-yl)phenol

C13H20N2O — CID 22397846

IUPAC3-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
InChIKeyAWROKCIGUWAVRF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-propylpiperazin-1-yl)phenol

3-(4-propylpiperazin-1-yl)phenol (PubChem CID 22397846) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)phenol
PubChem CID22397846
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
InChIKeyAWROKCIGUWAVRF-UHFFFAOYSA-N
XLogP1.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-yl)phenol?
The IUPAC name of 3-(4-propylpiperazin-1-yl)phenol (CID 22397846) is 3-(4-propylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)phenol?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)phenol is CCCN1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)phenol?
The InChIKey is AWROKCIGUWAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3.
What are the key properties of 3-(4-propylpiperazin-1-yl)phenol?
3-(4-propylpiperazin-1-yl)phenol has a molecular weight of 220.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)phenol is sourced from PubChem (CID 22397846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).