2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol

C15H24N2O2 — CID 82303827

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(C)c(C(CO)N2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-9-15(19-3)12(2)8-13(11)14(10-18)17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyCSBIBTBLUGWESZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.25
Rot. Bonds4

About 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol

2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol (PubChem CID 82303827) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
PubChem CID82303827
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCOc1cc(C)c(C(CO)N2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-9-15(19-3)12(2)8-13(11)14(10-18)17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyCSBIBTBLUGWESZ-UHFFFAOYSA-N
XLogP1.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
CID 171183348

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol (CID 82303827) is 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol is COc1cc(C)c(C(CO)N2CCNCC2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is CSBIBTBLUGWESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-9-15(19-3)12(2)8-13(11)14(10-18)17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol?
2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 264.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82303827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).