1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone

C12H23N3O — CID 24702180

IUPAC1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-6-8-15(9-7-14)12(16)10-11-2-4-13-5-3-11/h11,13H,2-10H2,1H3
InChIKeyMTRIGGNGKPDIJO-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone

1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone (PubChem CID 24702180) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
PubChem CID24702180
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-6-8-15(9-7-14)12(16)10-11-2-4-13-5-3-11/h11,13H,2-10H2,1H3
InChIKeyMTRIGGNGKPDIJO-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone (CID 24702180) is 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone is CN1CCN(C(=O)CC2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is MTRIGGNGKPDIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-6-8-15(9-7-14)12(16)10-11-2-4-13-5-3-11/h11,13H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 24702180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).