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

C13H25N3 — CID 58970811

IUPAC1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine
SMILESC=C1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-13-3-5-15(6-4-13)11-12-16-9-7-14(2)8-10-16/h1,3-12H2,2H3
InChIKeyDMIGTHZHWHHTTE-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.89
Rot. Bonds3

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

1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine (PubChem CID 58970811) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine
PubChem CID58970811
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine
SMILESC=C1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-13-3-5-15(6-4-13)11-12-16-9-7-14(2)8-10-16/h1,3-12H2,2H3
InChIKeyDMIGTHZHWHHTTE-UHFFFAOYSA-N
XLogP0.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine (CID 58970811) is 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine is C=C1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine?
The InChIKey is DMIGTHZHWHHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13-3-5-15(6-4-13)11-12-16-9-7-14(2)8-10-16/h1,3-12H2,2H3.
What are the key properties of 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine?
1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine has a molecular weight of 223.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylidenepiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 58970811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).