1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine

C22H25ClN2O2 — CID 70101507

IUPAC1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine
SMILESCN1CCN(CCC=C2c3ccccc3OCOc3ccc(Cl)cc32)CC1
InChIInChI=1S/C22H25ClN2O2/c1-24-11-13-25(14-12-24)10-4-6-18-19-5-2-3-7-21(19)26-16-27-22-9-8-17(23)15-20(18)22/h2-3,5-9,15H,4,10-14,16H2,1H3
InChIKeyURBMXAHMLLKCHM-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.14
Rot. Bonds3

About 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine

1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine (PubChem CID 70101507) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine
PubChem CID70101507
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine
SMILESCN1CCN(CCC=C2c3ccccc3OCOc3ccc(Cl)cc32)CC1
InChIInChI=1S/C22H25ClN2O2/c1-24-11-13-25(14-12-24)10-4-6-18-19-5-2-3-7-21(19)26-16-27-22-9-8-17(23)15-20(18)22/h2-3,5-9,15H,4,10-14,16H2,1H3
InChIKeyURBMXAHMLLKCHM-UHFFFAOYSA-N
XLogP4.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine (CID 70101507) is 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine is CN1CCN(CCC=C2c3ccccc3OCOc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine?
The InChIKey is URBMXAHMLLKCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-24-11-13-25(14-12-24)10-4-6-18-19-5-2-3-7-21(19)26-16-27-22-9-8-17(23)15-20(18)22/h2-3,5-9,15H,4,10-14,16H2,1H3.
What are the key properties of 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine?
1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine has a molecular weight of 384.91 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]-4-methylpiperazine is sourced from PubChem (CID 70101507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).