1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane

C15H37N3 — CID 159125347

IUPAC1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
SMILESC.C.CC1CCCN(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.2CH4/c1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H4
InChIKeyKGEZABMLGZIYPA-UHFFFAOYSA-N
MW259.48 g/mol
LogP2.48
Rot. Bonds

About 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane

1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane (PubChem CID 159125347) has the molecular formula C15H37N3 and a molecular weight of 259.48 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
PubChem CID159125347
Molecular FormulaC15H37N3
Molecular Weight259.48 g/mol
Exact Mass259.30
IUPAC Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
SMILESC.C.CC1CCCN(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.2CH4/c1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H4
InChIKeyKGEZABMLGZIYPA-UHFFFAOYSA-N
XLogP2.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
1,3-Di-(3-methylpiperidino)propane dihydrochloride
CID 13610537
1,4-Di-(3-methylpiperidino)butane dihydrochloride
CID 13794402
1-(2-Methyl-4-piperidin-1-ylbutyl)piperidine
CID 11128366
Piperidine, 1,1'-(1,2-ethanediyl)bis[3-methyl-
CID 107031
3,3-difluoro-1-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580792
3,3-difluoro-1-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580866
(3R)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267599
(3S)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267600
3,3-Difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
CID 77147828

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane?
The IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane (CID 159125347) is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane.
What is the SMILES notation for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane?
The canonical SMILES for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane is C.C.CC1CCCN(C)C1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane?
The InChIKey is KGEZABMLGZIYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.2CH4/c1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H4.
What are the key properties of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane?
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane has a molecular weight of 259.48 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane is sourced from PubChem (CID 159125347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).