1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine

C13H27N3 — CID 117271787

IUPAC1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2(C)CCCCN2)CC1
InChIInChI=1S/C13H27N3/c1-13(5-3-4-7-14-13)6-8-16-11-9-15(2)10-12-16/h14H,3-12H2,1-2H3
InChIKeyWGAYBRAMAUUWRP-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds3

About 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine

1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine (PubChem CID 117271787) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
PubChem CID117271787
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2(C)CCCCN2)CC1
InChIInChI=1S/C13H27N3/c1-13(5-3-4-7-14-13)6-8-16-11-9-15(2)10-12-16/h14H,3-12H2,1-2H3
InChIKeyWGAYBRAMAUUWRP-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
CID 117271549
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
2-methyl-2-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine
CID 117271582
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
2-methyl-2-(3-methylsulfonylpropyl)azepane
CID 79119216
8-[(2-methylpiperidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 113430623
2-(4-methoxybutyl)-2-methylpiperidine
CID 117271567
2-methyl-2-pent-3-ynylazepane
CID 104806626
4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654
1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271478
2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 66467821

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine (CID 117271787) is 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine is CN1CCN(CCC2(C)CCCCN2)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine?
The InChIKey is WGAYBRAMAUUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(5-3-4-7-14-13)6-8-16-11-9-15(2)10-12-16/h14H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine?
1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine is sourced from PubChem (CID 117271787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).