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

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Related Compounds

1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
CID 99932558
4-[2-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56895170
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylpiperidine
CID 112799650
(1S,5R)-3-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 77098377
6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 19804208
8-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one
CID 3335950
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
CID 107912808
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076

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).