(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine

C18H30N2O2 — CID 124780364

IUPAC(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
SMILESCCOCCN1CCN(CCOc2cccc(C)c2)C[C@H]1C
InChIInChI=1S/C18H30N2O2/c1-4-21-12-11-20-9-8-19(15-17(20)3)10-13-22-18-7-5-6-16(2)14-18/h5-7,14,17H,4,8-13,15H2,1-3H3/t17-/m1/s1
InChIKeyVNJXLQXYMRDIMV-QGZVFWFLSA-N
MW306.45 g/mol
LogP2.42
Rot. Bonds8

About (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine

(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine (PubChem CID 124780364) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
PubChem CID124780364
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
SMILESCCOCCN1CCN(CCOc2cccc(C)c2)C[C@H]1C
InChIInChI=1S/C18H30N2O2/c1-4-21-12-11-20-9-8-19(15-17(20)3)10-13-22-18-7-5-6-16(2)14-18/h5-7,14,17H,4,8-13,15H2,1-3H3/t17-/m1/s1
InChIKeyVNJXLQXYMRDIMV-QGZVFWFLSA-N
XLogP2.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95750583
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
3-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]benzonitrile
CID 95346828

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine?
The IUPAC name of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine (CID 124780364) is (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine.
What is the SMILES notation for (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine?
The canonical SMILES for (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine is CCOCCN1CCN(CCOc2cccc(C)c2)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine?
The InChIKey is VNJXLQXYMRDIMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-21-12-11-20-9-8-19(15-17(20)3)10-13-22-18-7-5-6-16(2)14-18/h5-7,14,17H,4,8-13,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine?
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine is sourced from PubChem (CID 124780364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).