(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine

C24H48N4O3 — CID 168903099

IUPAC(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine
SMILESCOCCN1CCN(CCOCCOC2CCN(CC3CCN(C)CC3)CC2)C[C@H]1C
InChIInChI=1S/C24H48N4O3/c1-22-20-27(12-13-28(22)15-16-29-3)14-17-30-18-19-31-24-6-10-26(11-7-24)21-23-4-8-25(2)9-5-23/h22-24H,4-21H2,1-3H3/t22-/m1/s1
InChIKeyTYSLRMXZBPNORY-JOCHJYFZSA-N
MW440.67 g/mol
LogP1.48
Rot. Bonds12

About (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine

(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine (PubChem CID 168903099) has the molecular formula C24H48N4O3 and a molecular weight of 440.67 g/mol. Its IUPAC name is (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine.

Molecular Properties

Compound Name(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine
PubChem CID168903099
Molecular FormulaC24H48N4O3
Molecular Weight440.67 g/mol
Exact Mass440.37
IUPAC Name(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine
SMILESCOCCN1CCN(CCOCCOC2CCN(CC3CCN(C)CC3)CC2)C[C@H]1C
InChIInChI=1S/C24H48N4O3/c1-22-20-27(12-13-28(22)15-16-29-3)14-17-30-18-19-31-24-6-10-26(11-7-24)21-23-4-8-25(2)9-5-23/h22-24H,4-21H2,1-3H3/t22-/m1/s1
InChIKeyTYSLRMXZBPNORY-JOCHJYFZSA-N
XLogP1.48
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024
(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
CID 177319162
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine?
The IUPAC name of (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine (CID 168903099) is (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine.
What is the SMILES notation for (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine?
The canonical SMILES for (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine is COCCN1CCN(CCOCCOC2CCN(CC3CCN(C)CC3)CC2)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine?
The InChIKey is TYSLRMXZBPNORY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H48N4O3/c1-22-20-27(12-13-28(22)15-16-29-3)14-17-30-18-19-31-24-6-10-26(11-7-24)21-23-4-8-25(2)9-5-23/h22-24H,4-21H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine?
(2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine has a molecular weight of 440.67 g/mol, XLogP of 1.48, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methoxyethyl)-2-methyl-4-[2-[2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxyethoxy]ethyl]piperazine is sourced from PubChem (CID 168903099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).