ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine

C15H33N3O — CID 142407871

IUPACethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
SMILESCC.COCCN1CCC(CN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O.C2H6/c1-14-5-7-16(8-6-14)12-13-3-4-15(11-13)9-10-17-2;1-2/h13H,3-12H2,1-2H3;1-2H3
InChIKeyOCWJNTFIDXVEPO-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.23
Rot. Bonds5

About ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine

ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine (PubChem CID 142407871) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
PubChem CID142407871
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Nameethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
SMILESCC.COCCN1CCC(CN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O.C2H6/c1-14-5-7-16(8-6-14)12-13-3-4-15(11-13)9-10-17-2;1-2/h13H,3-12H2,1-2H3;1-2H3
InChIKeyOCWJNTFIDXVEPO-UHFFFAOYSA-N
XLogP1.23
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
CID 29183665
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-[2,5-dimethyl-5-[4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]hexan-2-yl]-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 146526531
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine (CID 142407871) is ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine is CC.COCCN1CCC(CN2CCN(C)CC2)C1.
What is the InChIKey of ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine?
The InChIKey is OCWJNTFIDXVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.C2H6/c1-14-5-7-16(8-6-14)12-13-3-4-15(11-13)9-10-17-2;1-2/h13H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine?
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine has a molecular weight of 271.45 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 142407871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).