1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine

C15H24N2O2 — CID 146327708

IUPAC1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
SMILESCOCCOc1ccc(N2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)16-12)14-4-6-15(7-5-14)19-9-8-18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyMNKUGGCQGQUBIO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds5

About 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine

1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine (PubChem CID 146327708) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
PubChem CID146327708
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
SMILESCOCCOc1ccc(N2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)16-12)14-4-6-15(7-5-14)19-9-8-18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyMNKUGGCQGQUBIO-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
CID 71214484
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 91814615
(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
(2S,5S)-2,5-dimethyl-1,4-bis[4-[tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenyl]piperazine
CID 15548313
3-methyl-1-(4-propoxyphenyl)-1,4-diazepane
CID 64950754
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
(3S)-4-[4-(2-methoxyethoxy)phenyl]-3-methylpiperazine-1-carboxylic acid
CID 166759000
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzoic acid
CID 69043064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine (CID 146327708) is 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine is COCCOc1ccc(N2CC(C)NC(C)C2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine?
The InChIKey is MNKUGGCQGQUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)16-12)14-4-6-15(7-5-14)19-9-8-18-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine?
1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine has a molecular weight of 264.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 146327708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).