4-(4-propan-2-ylpiperazin-1-yl)phenol

C13H20N2O — CID 689098

IUPAC4-(4-propan-2-ylpiperazin-1-yl)phenol
SMILESCC(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyBMBPGRMBBHKAEP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds2

About 4-(4-propan-2-ylpiperazin-1-yl)phenol

4-(4-propan-2-ylpiperazin-1-yl)phenol (PubChem CID 689098) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)phenol
PubChem CID689098
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)phenol
SMILESCC(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyBMBPGRMBBHKAEP-UHFFFAOYSA-N
XLogP1.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-(4-propan-2-ylpiperazin-1-yl)phenol?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)phenol (CID 689098) is 4-(4-propan-2-ylpiperazin-1-yl)phenol.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)phenol?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)phenol is CC(C)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)phenol?
The InChIKey is BMBPGRMBBHKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)phenol?
4-(4-propan-2-ylpiperazin-1-yl)phenol has a molecular weight of 220.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)phenol is sourced from PubChem (CID 689098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).