1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine

C18H28N2O — CID 64845482

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1CC1OCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-6-16-11-19-14(2)12-20(16)13-18-17-8-5-4-7-15(17)9-10-21-18/h4-5,7-8,14,16,18-19H,3,6,9-13H2,1-2H3
InChIKeySZPYTYDFKZWMDE-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.76
Rot. Bonds4

About 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine (PubChem CID 64845482) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine
PubChem CID64845482
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1CC1OCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-6-16-11-19-14(2)12-20(16)13-18-17-8-5-4-7-15(17)9-10-21-18/h4-5,7-8,14,16,18-19H,3,6,9-13H2,1-2H3
InChIKeySZPYTYDFKZWMDE-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-4-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methylmorpholine
CID 81209834
[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506165
2-(bromomethyl)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidine
CID 80668981
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-diethylazanium
CID 6937341
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
CID 114502722
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-diethylpyrazole
CID 82699233
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-propan-2-yl-1,4-diazepane
CID 64857061

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine (CID 64845482) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine is CCCC1CNC(C)CN1CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine?
The InChIKey is SZPYTYDFKZWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-6-16-11-19-14(2)12-20(16)13-18-17-8-5-4-7-15(17)9-10-21-18/h4-5,7-8,14,16,18-19H,3,6,9-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine has a molecular weight of 288.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64845482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).