1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine

C16H35N3 — CID 160512898

IUPAC1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine
SMILESC.C=C(N)N1CCC(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C8H16N2.C7H15N.CH4/c1-7-3-5-10(6-4-7)8(2)9;1-7-3-5-8(2)6-4-7;/h7H,2-6,9H2,1H3;7H,3-6H2,1-2H3;1H4
InChIKeyQTGWLQTUXPFNOB-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.13
Rot. Bonds1

About 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine

1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine (PubChem CID 160512898) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine
PubChem CID160512898
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine
SMILESC.C=C(N)N1CCC(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C8H16N2.C7H15N.CH4/c1-7-3-5-10(6-4-7)8(2)9;1-7-3-5-8(2)6-4-7;/h7H,2-6,9H2,1H3;7H,3-6H2,1-2H3;1H4
InChIKeyQTGWLQTUXPFNOB-UHFFFAOYSA-N
XLogP3.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
1,4-dimethylpiperidine;3-methyl-3-azabicyclo[3.2.1]octane
CID 176562106
1-(1-methoxyethenyl)-4-methylpiperidine
CID 143020458
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
CID 160510205
1,4-dimethyl-azacycloundecane
CID 89347639
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide
CID 161435717
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363
4-methyl-1-pent-1-en-2-ylpiperidine
CID 143498403
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine?
The IUPAC name of 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine (CID 160512898) is 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine.
What is the SMILES notation for 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine?
The canonical SMILES for 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine is C.C=C(N)N1CCC(C)CC1.CC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine?
The InChIKey is QTGWLQTUXPFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H15N.CH4/c1-7-3-5-10(6-4-7)8(2)9;1-7-3-5-8(2)6-4-7;/h7H,2-6,9H2,1H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine?
1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine has a molecular weight of 269.48 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine is sourced from PubChem (CID 160512898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).