1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine

C16H26N2O3 — CID 117475075

IUPAC1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(OC)c(OC)cc1CCN1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-19-12-14-11-16(21-3)15(20-2)10-13(14)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyTWFGAPURQLRBDQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.30
Rot. Bonds7

About 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine

1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine (PubChem CID 117475075) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
PubChem CID117475075
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(OC)c(OC)cc1CCN1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-19-12-14-11-16(21-3)15(20-2)10-13(14)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyTWFGAPURQLRBDQ-UHFFFAOYSA-N
XLogP1.30
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
CID 117481365
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine (CID 117475075) is 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine is COCc1cc(OC)c(OC)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine?
The InChIKey is TWFGAPURQLRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-12-14-11-16(21-3)15(20-2)10-13(14)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9,12H2,1-3H3.
What are the key properties of 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine?
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine has a molecular weight of 294.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117475075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).