4-(4-tert-butylpiperazin-1-yl)-2-methylphenol

C15H24N2O — CID 164764153

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
SMILESCc1cc(N2CCN(C(C)(C)C)CC2)ccc1O
InChIInChI=1S/C15H24N2O/c1-12-11-13(5-6-14(12)18)16-7-9-17(10-8-16)15(2,3)4/h5-6,11,18H,7-10H2,1-4H3
InChIKeyNRDLYIKPTMGTPL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds1

About 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol

4-(4-tert-butylpiperazin-1-yl)-2-methylphenol (PubChem CID 164764153) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
PubChem CID164764153
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
SMILESCc1cc(N2CCN(C(C)(C)C)CC2)ccc1O
InChIInChI=1S/C15H24N2O/c1-12-11-13(5-6-14(12)18)16-7-9-17(10-8-16)15(2,3)4/h5-6,11,18H,7-10H2,1-4H3
InChIKeyNRDLYIKPTMGTPL-UHFFFAOYSA-N
XLogP2.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol (CID 164764153) is 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol is Cc1cc(N2CCN(C(C)(C)C)CC2)ccc1O.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol?
The InChIKey is NRDLYIKPTMGTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-11-13(5-6-14(12)18)16-7-9-17(10-8-16)15(2,3)4/h5-6,11,18H,7-10H2,1-4H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol?
4-(4-tert-butylpiperazin-1-yl)-2-methylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-methylphenol is sourced from PubChem (CID 164764153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).