3-(3,4-diethoxyphenyl)-1-methylpiperazine

C15H24N2O2 — CID 116989258

IUPAC3-(3,4-diethoxyphenyl)-1-methylpiperazine
SMILESCCOc1ccc(C2CN(C)CCN2)cc1OCC
InChIInChI=1S/C15H24N2O2/c1-4-18-14-7-6-12(10-15(14)19-5-2)13-11-17(3)9-8-16-13/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3
InChIKeyQDVLHOVKQRXUPJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds5

About 3-(3,4-diethoxyphenyl)-1-methylpiperazine

3-(3,4-diethoxyphenyl)-1-methylpiperazine (PubChem CID 116989258) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-1-methylpiperazine
PubChem CID116989258
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3,4-diethoxyphenyl)-1-methylpiperazine
SMILESCCOc1ccc(C2CN(C)CCN2)cc1OCC
InChIInChI=1S/C15H24N2O2/c1-4-18-14-7-6-12(10-15(14)19-5-2)13-11-17(3)9-8-16-13/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3
InChIKeyQDVLHOVKQRXUPJ-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole
CID 84637851
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-1-methylpiperazine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-1-methylpiperazine (CID 116989258) is 3-(3,4-diethoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-1-methylpiperazine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-1-methylpiperazine is CCOc1ccc(C2CN(C)CCN2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-1-methylpiperazine?
The InChIKey is QDVLHOVKQRXUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-18-14-7-6-12(10-15(14)19-5-2)13-11-17(3)9-8-16-13/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-1-methylpiperazine?
3-(3,4-diethoxyphenyl)-1-methylpiperazine has a molecular weight of 264.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 116989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).