1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane

C17H35N3O — CID 166113663

IUPAC1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane
SMILESC.CCN1CCC(CN2CCN(C(C)=O)C(C)(C)C2)CC1
InChIInChI=1S/C16H31N3O.CH4/c1-5-17-8-6-15(7-9-17)12-18-10-11-19(14(2)20)16(3,4)13-18;/h15H,5-13H2,1-4H3;1H4
InChIKeyZJUUJLNYVBPRIH-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane

1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane (PubChem CID 166113663) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane.

Molecular Properties

Compound Name1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane
PubChem CID166113663
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane
SMILESC.CCN1CCC(CN2CCN(C(C)=O)C(C)(C)C2)CC1
InChIInChI=1S/C16H31N3O.CH4/c1-5-17-8-6-15(7-9-17)12-18-10-11-19(14(2)20)16(3,4)13-18;/h15H,5-13H2,1-4H3;1H4
InChIKeyZJUUJLNYVBPRIH-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Bis(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 3526406
N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164632263
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
4-[[4-(2-Methylpropanoyl)piperazin-1-yl]methyl]piperidine-1-carbonyl fluoride
CID 156707491
1-[4-[(1-Butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113225
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 166113747
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113748
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172114702
1-[4-Fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114728
1-[4-[(3,3-Difluoro-4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177300837
2-Methyl-1-[4-[[4-(2-methylpropyl)-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 177301848
1-[4-Fluoro-4-[[2-methyl-4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane?
The IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane (CID 166113663) is 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane.
What is the SMILES notation for 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane?
The canonical SMILES for 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane is C.CCN1CCC(CN2CCN(C(C)=O)C(C)(C)C2)CC1.
What is the InChIKey of 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane?
The InChIKey is ZJUUJLNYVBPRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.CH4/c1-5-17-8-6-15(7-9-17)12-18-10-11-19(14(2)20)16(3,4)13-18;/h15H,5-13H2,1-4H3;1H4.
What are the key properties of 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane?
1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane has a molecular weight of 297.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazin-1-yl]ethanone;methane is sourced from PubChem (CID 166113663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).