1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone

C16H31N3O2 — CID 71784717

IUPAC1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-21-13-16(20)18-7-5-15(6-8-18)12-19-10-9-17(3)11-14(19)2/h14-15H,4-13H2,1-3H3
InChIKeyDXLBWPKWBLQOKW-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.90
Rot. Bonds5

About 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone

1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone (PubChem CID 71784717) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone
PubChem CID71784717
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-21-13-16(20)18-7-5-15(6-8-18)12-19-10-9-17(3)11-14(19)2/h14-15H,4-13H2,1-3H3
InChIKeyDXLBWPKWBLQOKW-UHFFFAOYSA-N
XLogP0.90
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone (CID 71784717) is 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(CN2CCN(C)CC2C)CC1.
What is the InChIKey of 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone?
The InChIKey is DXLBWPKWBLQOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-21-13-16(20)18-7-5-15(6-8-18)12-19-10-9-17(3)11-14(19)2/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone?
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone has a molecular weight of 297.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 71784717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).