4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol

C14H22N2O2 — CID 117379682

IUPAC4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCOc1cc(CCN2CCNCC2)c(O)cc1C
InChIInChI=1S/C14H22N2O2/c1-11-9-13(17)12(10-14(11)18-2)3-6-16-7-4-15-5-8-16/h9-10,15,17H,3-8H2,1-2H3
InChIKeyPGBBOMYJGPWRIF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds4

About 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol

4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 117379682) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID117379682
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCOc1cc(CCN2CCNCC2)c(O)cc1C
InChIInChI=1S/C14H22N2O2/c1-11-9-13(17)12(10-14(11)18-2)3-6-16-7-4-15-5-8-16/h9-10,15,17H,3-8H2,1-2H3
InChIKeyPGBBOMYJGPWRIF-UHFFFAOYSA-N
XLogP1.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol (CID 117379682) is 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol is COc1cc(CCN2CCNCC2)c(O)cc1C.
What is the InChIKey of 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is PGBBOMYJGPWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-13(17)12(10-14(11)18-2)3-6-16-7-4-15-5-8-16/h9-10,15,17H,3-8H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol?
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 250.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117379682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).