1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine

C16H26N2O2 — CID 63863139

IUPAC1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine
SMILESCOc1ccc(OC)c(C(C)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17-11)13(3)15-8-14(19-4)6-7-16(15)20-5/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyUGJNMGSDVOJHNP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds4

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine

1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine (PubChem CID 63863139) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine
PubChem CID63863139
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine
SMILESCOc1ccc(OC)c(C(C)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17-11)13(3)15-8-14(19-4)6-7-16(15)20-5/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyUGJNMGSDVOJHNP-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212747
3-[1-(2,5-dimethoxyphenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313891
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
CID 81451585
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
1-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063096
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
(4aS,7aS)-6-[1-(2,4-dimethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678758
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine (CID 63863139) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine is COc1ccc(OC)c(C(C)N2CC(C)NC(C)C2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine?
The InChIKey is UGJNMGSDVOJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-18(10-12(2)17-11)13(3)15-8-14(19-4)6-7-16(15)20-5/h6-8,11-13,17H,9-10H2,1-5H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine?
1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63863139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).