1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C14H28N4O — CID 80549868

IUPAC1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CCN1C
InChIInChI=1S/C14H28N4O/c1-12-11-17(10-9-16(12)4)13(19)14(2,3)18-7-5-15-6-8-18/h12,15H,5-11H2,1-4H3
InChIKeySUZMJEXLBNSFKP-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.17
Rot. Bonds2

About 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 80549868) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID80549868
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CCN1C
InChIInChI=1S/C14H28N4O/c1-12-11-17(10-9-16(12)4)13(19)14(2,3)18-7-5-15-6-8-18/h12,15H,5-11H2,1-4H3
InChIKeySUZMJEXLBNSFKP-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
CID 115739169
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 80549965
2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
CID 80547819
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 80549868) is 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC1CN(C(=O)C(C)(C)N2CCNCC2)CCN1C.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is SUZMJEXLBNSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12-11-17(10-9-16(12)4)13(19)14(2,3)18-7-5-15-6-8-18/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 80549868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).