1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine

C21H33N3O2 — CID 56707041

IUPAC1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine
SMILESCc1cc2c(cc1CN1CCCCC1CCN1CCN(C)CC1)OCO2
InChIInChI=1S/C21H33N3O2/c1-17-13-20-21(26-16-25-20)14-18(17)15-24-7-4-3-5-19(24)6-8-23-11-9-22(2)10-12-23/h13-14,19H,3-12,15-16H2,1-2H3
InChIKeyOHLUPJSIBDVZNU-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine

1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine (PubChem CID 56707041) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine
PubChem CID56707041
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine
SMILESCc1cc2c(cc1CN1CCCCC1CCN1CCN(C)CC1)OCO2
InChIInChI=1S/C21H33N3O2/c1-17-13-20-21(26-16-25-20)14-18(17)15-24-7-4-3-5-19(24)6-8-23-11-9-22(2)10-12-23/h13-14,19H,3-12,15-16H2,1-2H3
InChIKeyOHLUPJSIBDVZNU-UHFFFAOYSA-N
XLogP2.72
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine (CID 56707041) is 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine is Cc1cc2c(cc1CN1CCCCC1CCN1CCN(C)CC1)OCO2.
What is the InChIKey of 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine?
The InChIKey is OHLUPJSIBDVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-13-20-21(26-16-25-20)14-18(17)15-24-7-4-3-5-19(24)6-8-23-11-9-22(2)10-12-23/h13-14,19H,3-12,15-16H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine?
1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine has a molecular weight of 359.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]ethyl]piperazine is sourced from PubChem (CID 56707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).