2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol

C14H22N2O — CID 83896218

IUPAC2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
SMILESCc1ccc(CCN2CCNCC2)c(O)c1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(14(17)12(11)2)5-8-16-9-6-15-7-10-16/h3-4,15,17H,5-10H2,1-2H3
InChIKeyISCDLARYVGJXDQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.46
Rot. Bonds3

About 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol

2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol (PubChem CID 83896218) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
PubChem CID83896218
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
SMILESCc1ccc(CCN2CCNCC2)c(O)c1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(14(17)12(11)2)5-8-16-9-6-15-7-10-16/h3-4,15,17H,5-10H2,1-2H3
InChIKeyISCDLARYVGJXDQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
CID 117368753
1-[2-(2-cyclopentyloxy-3,4-dimethylphenyl)ethyl]piperazine
CID 117487419
2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
3-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117468863
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1,6-dimethyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83948015
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol (CID 83896218) is 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol is Cc1ccc(CCN2CCNCC2)c(O)c1C.
What is the InChIKey of 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol?
The InChIKey is ISCDLARYVGJXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-4-13(14(17)12(11)2)5-8-16-9-6-15-7-10-16/h3-4,15,17H,5-10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol?
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol has a molecular weight of 234.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 83896218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).