2-(6,6-dimethylpiperazin-2-yl)phenol

C12H18N2O — CID 82395867

IUPAC2-(6,6-dimethylpiperazin-2-yl)phenol
SMILESCC1(C)CNCC(c2ccccc2O)N1
InChIInChI=1S/C12H18N2O/c1-12(2)8-13-7-10(14-12)9-5-3-4-6-11(9)15/h3-6,10,13-15H,7-8H2,1-2H3
InChIKeyQWVSDRGLDFUFPL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds1

About 2-(6,6-dimethylpiperazin-2-yl)phenol

2-(6,6-dimethylpiperazin-2-yl)phenol (PubChem CID 82395867) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(6,6-dimethylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name2-(6,6-dimethylpiperazin-2-yl)phenol
PubChem CID82395867
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(6,6-dimethylpiperazin-2-yl)phenol
SMILESCC1(C)CNCC(c2ccccc2O)N1
InChIInChI=1S/C12H18N2O/c1-12(2)8-13-7-10(14-12)9-5-3-4-6-11(9)15/h3-6,10,13-15H,7-8H2,1-2H3
InChIKeyQWVSDRGLDFUFPL-UHFFFAOYSA-N
XLogP1.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(2-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
CID 139197578
2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol
CID 125450658
2-(azetidin-2-yl)phenol
CID 55282316
2,2-dimethyl-6-pyridin-4-ylpiperazine
CID 82403116
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol
CID 125450079
6-(3,4-dimethylphenyl)-2,2-dimethylpiperazine
CID 82393141
2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine
CID 112545717
4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270263
6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
CID 82386691
2-morpholin-3-ylphenol
CID 55294349
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylpiperazin-2-yl)phenol?
The IUPAC name of 2-(6,6-dimethylpiperazin-2-yl)phenol (CID 82395867) is 2-(6,6-dimethylpiperazin-2-yl)phenol.
What is the SMILES notation for 2-(6,6-dimethylpiperazin-2-yl)phenol?
The canonical SMILES for 2-(6,6-dimethylpiperazin-2-yl)phenol is CC1(C)CNCC(c2ccccc2O)N1.
What is the InChIKey of 2-(6,6-dimethylpiperazin-2-yl)phenol?
The InChIKey is QWVSDRGLDFUFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)8-13-7-10(14-12)9-5-3-4-6-11(9)15/h3-6,10,13-15H,7-8H2,1-2H3.
What are the key properties of 2-(6,6-dimethylpiperazin-2-yl)phenol?
2-(6,6-dimethylpiperazin-2-yl)phenol has a molecular weight of 206.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylpiperazin-2-yl)phenol is sourced from PubChem (CID 82395867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).