(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine

C18H30N2O2 — CID 124737287

IUPAC(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
SMILESCCOCCN1CCN(CCc2ccc(OC)cc2)C[C@H]1C
InChIInChI=1S/C18H30N2O2/c1-4-22-14-13-20-12-11-19(15-16(20)2)10-9-17-5-7-18(21-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3/t16-/m1/s1
InChIKeyPQJSHJXQORIPEY-MRXNPFEDSA-N
MW306.45 g/mol
LogP2.28
Rot. Bonds8

About (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine

(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine (PubChem CID 124737287) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
PubChem CID124737287
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
SMILESCCOCCN1CCN(CCc2ccc(OC)cc2)C[C@H]1C
InChIInChI=1S/C18H30N2O2/c1-4-22-14-13-20-12-11-19(15-16(20)2)10-9-17-5-7-18(21-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3/t16-/m1/s1
InChIKeyPQJSHJXQORIPEY-MRXNPFEDSA-N
XLogP2.28
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 ≤ 52.28
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

(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95305075
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124741311
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
3-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]benzonitrile
CID 95346828
3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124780397
[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
CID 63604530
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine (CID 124737287) is (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine is CCOCCN1CCN(CCc2ccc(OC)cc2)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The InChIKey is PQJSHJXQORIPEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-22-14-13-20-12-11-19(15-16(20)2)10-9-17-5-7-18(21-3)8-6-17/h5-8,16H,4,9-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine has a molecular weight of 306.45 g/mol, XLogP of 2.28, 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)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 124737287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).