(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone

C13H25N3O — CID 79163291

IUPAC(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCNCC2(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-11-4-7-15(8-5-11)12(17)16-9-6-14-10-13(16,2)3/h11,14H,4-10H2,1-3H3
InChIKeyUJTFVMCVAWNXHX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds

About (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 79163291) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID79163291
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCNCC2(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-11-4-7-15(8-5-11)12(17)16-9-6-14-10-13(16,2)3/h11,14H,4-10H2,1-3H3
InChIKeyUJTFVMCVAWNXHX-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82755260
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
1-(2,2-dimethylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115273158
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 114610398
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 79163291) is (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCNCC2(C)C)CC1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UJTFVMCVAWNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-4-7-15(8-5-11)12(17)16-9-6-14-10-13(16,2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79163291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).