1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone

C13H25N3O2 — CID 55061250

IUPAC1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone
SMILESCN1CCN(C(=O)COCC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-6-8-16(9-7-15)13(17)11-18-10-12-2-4-14-5-3-12/h12,14H,2-11H2,1H3
InChIKeyFERSFMXUYQXWNB-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.22
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone

1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone (PubChem CID 55061250) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone
PubChem CID55061250
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone
SMILESCN1CCN(C(=O)COCC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-6-8-16(9-7-15)13(17)11-18-10-12-2-4-14-5-3-12/h12,14H,2-11H2,1H3
InChIKeyFERSFMXUYQXWNB-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone (CID 55061250) is 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone is CN1CCN(C(=O)COCC2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone?
The InChIKey is FERSFMXUYQXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-6-8-16(9-7-15)13(17)11-18-10-12-2-4-14-5-3-12/h12,14H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone?
1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone is sourced from PubChem (CID 55061250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).