1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine

C21H42N4O2 — CID 123474572

IUPAC1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine
SMILESCOCCN1CCCC(CN2CCNC(COCC3CCCN(C)C3)C2)C1
InChIInChI=1S/C21H42N4O2/c1-23-8-3-6-20(13-23)17-27-18-21-16-25(10-7-22-21)15-19-5-4-9-24(14-19)11-12-26-2/h19-22H,3-18H2,1-2H3
InChIKeyRXRXLIBNAYETPN-UHFFFAOYSA-N
MW382.59 g/mol
LogP0.98
Rot. Bonds9

About 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine

1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine (PubChem CID 123474572) has the molecular formula C21H42N4O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine
PubChem CID123474572
Molecular FormulaC21H42N4O2
Molecular Weight382.59 g/mol
Exact Mass382.33
IUPAC Name1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine
SMILESCOCCN1CCCC(CN2CCNC(COCC3CCCN(C)C3)C2)C1
InChIInChI=1S/C21H42N4O2/c1-23-8-3-6-20(13-23)17-27-18-21-16-25(10-7-22-21)15-19-5-4-9-24(14-19)11-12-26-2/h19-22H,3-18H2,1-2H3
InChIKeyRXRXLIBNAYETPN-UHFFFAOYSA-N
XLogP0.98
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine (CID 123474572) is 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine is COCCN1CCCC(CN2CCNC(COCC3CCCN(C)C3)C2)C1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine?
The InChIKey is RXRXLIBNAYETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O2/c1-23-8-3-6-20(13-23)17-27-18-21-16-25(10-7-22-21)15-19-5-4-9-24(14-19)11-12-26-2/h19-22H,3-18H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine?
1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine has a molecular weight of 382.59 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine is sourced from PubChem (CID 123474572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).