3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol

C11H14Cl2N2O — CID 58758919

IUPAC3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2c(Cl)cc(O)cc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c1-14-2-4-15(5-3-14)11-9(12)6-8(16)7-10(11)13/h6-7,16H,2-5H2,1H3
InChIKeyKZADRDMAPMXKPG-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.45
Rot. Bonds1

About 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol

3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol (PubChem CID 58758919) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol
PubChem CID58758919
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2c(Cl)cc(O)cc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c1-14-2-4-15(5-3-14)11-9(12)6-8(16)7-10(11)13/h6-7,16H,2-5H2,1H3
InChIKeyKZADRDMAPMXKPG-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol?
The IUPAC name of 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol (CID 58758919) is 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol.
What is the SMILES notation for 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol?
The canonical SMILES for 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol is CN1CCN(c2c(Cl)cc(O)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol?
The InChIKey is KZADRDMAPMXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-14-2-4-15(5-3-14)11-9(12)6-8(16)7-10(11)13/h6-7,16H,2-5H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol?
3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol has a molecular weight of 261.15 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-methylpiperazin-1-yl)phenol is sourced from PubChem (CID 58758919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).