(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine

C18H36N2O2 — CID 124826688

IUPAC(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
SMILESCCOCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C
InChIInChI=1S/C18H36N2O2/c1-4-21-13-12-20-10-9-19(15-17(20)3)11-14-22-18-8-6-5-7-16(18)2/h16-18H,4-15H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyRXWJSLAOXPJWEO-RCCFBDPRSA-N
MW312.50 g/mol
LogP2.62
Rot. Bonds8

About (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine

(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine (PubChem CID 124826688) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine.

Molecular Properties

Compound Name(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
PubChem CID124826688
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
SMILESCCOCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C
InChIInChI=1S/C18H36N2O2/c1-4-21-13-12-20-10-9-19(15-17(20)3)11-14-22-18-8-6-5-7-16(18)2/h16-18H,4-15H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyRXWJSLAOXPJWEO-RCCFBDPRSA-N
XLogP2.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.62
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)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342
1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
CID 124736823
(2S)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842222
3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124780397
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
3-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95347534
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine?
The IUPAC name of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine (CID 124826688) is (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine.
What is the SMILES notation for (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine?
The canonical SMILES for (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine is CCOCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine?
The InChIKey is RXWJSLAOXPJWEO-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-4-21-13-12-20-10-9-19(15-17(20)3)11-14-22-18-8-6-5-7-16(18)2/h16-18H,4-15H2,1-3H3/t16-,17+,18+/m0/s1.
What are the key properties of (2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine?
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine has a molecular weight of 312.50 g/mol, XLogP of 2.62, 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-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine is sourced from PubChem (CID 124826688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).