1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine

C19H39N5O — CID 146398621

IUPAC1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1
InChIInChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3
InChIKeyVCLKBALWEGMSRE-UHFFFAOYSA-N
MW353.56 g/mol
LogP-0.04
Rot. Bonds5

About 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine

1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine (PubChem CID 146398621) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
PubChem CID146398621
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC Name1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
SMILESCOCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1
InChIInChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3
InChIKeyVCLKBALWEGMSRE-UHFFFAOYSA-N
XLogP-0.04
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine (CID 146398621) is 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine is COCCN1CCN(C)CC1C1CN(C)CCN1C1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
The InChIKey is VCLKBALWEGMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-20-7-5-17(6-8-20)24-12-10-22(3)16-19(24)18-15-21(2)9-11-23(18)13-14-25-4/h17-19H,5-16H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine?
1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine has a molecular weight of 353.56 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine is sourced from PubChem (CID 146398621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).